{ "vercy": "1.0-draft", "publication": { "status": "research-draft", "adjudicationStatus": "unreviewed", "publishableCanonical": false, "generatedAt": "2026-09-12T09:15:58Z", "providers": [ "Codex" ], "breadth": "recalled by Codex without web access - no source was read", "missingProviders": [], "pass": 2, "cost": { "grok": { "seconds": 20.9, "error": "Reading additional input from stdin...\nOpenAI Codex v0.153.4\n--------\nworkdir: R:\\02_PROJECTS\\02_Meta_Models_Platforms\\Ver.cy\\current\\thing-registry-backlog\nmodel: gpt-6-astra\nprovider: openai\napproval: never\nsandbox: read-only\nreasoning effort: none\nreasoning summaries: none\nsession id: 01a094e5-bc57-7353-9c21-31cb019f30fa\n--------\nuser\nDescribe what is already known about one registered thing. Answer as JSON only, no prose around it.\n\nThing: DL-1-phenethylamine\nSense to describe: (none recorded)\nDomain code: PHY.MAT\nAlso known as: (none)\n\n\nContext for this batch of 1001 things:\n# Batch 043: ", "usd": 0.0, "recall": true }, "codex": { "seconds": 80.4, "error": "Reading additional input from stdin...\nOpenAI Codex v0.153.4\n--------\nworkdir: R:\\02_PROJECTS\\02_Meta_Models_Platforms\\Ver.cy\\current\\thing-registry-backlog\nmodel: gpt-6-astra\nprovider: openai\napproval: never\nsandbox: read-only\nreasoning effort: none\nreasoning summaries: none\nsession id: 01a094e5-bc5f-7ac0-9f7f-a08ddf396fd2\n--------\nuser\nYou are drafting a Vercy meta-model for one registered thing. Answer as JSON only, no prose around it.\n\nThing: DL-1-phenethylamine\nRegistry id: vr.tr.dl-1-phenethylamine\nPlane / domain: PHY / PHY.MAT\nRegistry definition: (none recorded)\nNames folded into this " } }, "enrichment": { "pass": 3, "engine": "claude", "producedAt": "2026-10-06T12:00:00Z", "ingestedAt": "2026-10-06T08:43:02+00:00", "fields": [ "agent_conduct", "ethics", "failure_modes_and_hazards", "owners", "visual_identification" ] }, "gate": { "passed": true, "version": "1.0", "at": "2026-10-07T10:10:30+00:00", "evidence": [ "completeness 1.00", "sense: Wikidata description", "2 live sources", "review by codex: pass" ] } }, "metaModel": { "id": "THING-Q3560549", "registryId": "vr.tr.dl-1-phenethylamine", "name": "DL-1-phenethylamine", "version": "0.1.0-research.1", "entryKind": "thing", "family": "Thing Registry", "domain": [ "PHY.MAT" ], "status": "research-draft" }, "canonicalUrl": "https://ver.cy/models/thing/q3560549/", "model": { "registry_id": "vr.tr.dl-1-phenethylamine", "name": "DL-1-phenethylamine", "purpose": "Enable an agent to recognise DL-1-phenethylamine, assess a particular sample's identity and condition, and determine whether its composition and documented controls support a proposed use.", "definition": "DL-1-phenethylamine is racemic 1-phenylethan-1-amine, a primary amine with formula C8H11N and structure C6H5CH(NH2)CH3, containing equal proportions of its R and S enantiomers.", "scope_statement": "This draft models vr.tr.dl-1-phenethylamine in PHY / PHY.MAT as the racemic free-base substance provisionally identified with DL-1-phenylethylamine, also called DL-α-methylbenzylamine, with connectivity C6H5CH(CH3)NH2 and CAS 618-36-0; the registry-to-identifier mapping remains to be confirmed. Reference: [Merck substance and product record](https://www.sigmaaldrich.com/CH/en/product/mm/821256).", "in_scope": [ "Molecular connectivity, racemic identity and verified chemical identifiers", "Sample composition, chemical purity, enantiomeric composition and grade", "Physical state and measured properties under stated conditions", "Free-base identity and boundaries with salts, solutions and reaction products", "Evidence supporting storage, handling, intended use and jurisdiction-specific obligations" ], "out_of_scope": [ "Separate models of enantiopure R- and S-1-phenylethylamine", "2-Phenylethylamine and other constitutional isomers", "Phenylethylammonium salts and formulated products containing the substance", "Manufacturing, resolution and downstream synthesis procedures", "Facility operating procedures, worker exposure histories and waste-management services" ], "distinguishing_features": [ "Confirm connectivity as C6H5CH(NH2)CH3; 2-phenylethylamine instead has C6H5CH2CH2NH2.", "Require evidence of an approximately equimolar R/S composition within an explicit tolerance; a non-stereospecific name or structure alone does not establish a racemate.", "Distinguish the neutral amine from a protonated salt by counterion and composition evidence.", "Distinguish neat substance from a solution or formulation by recording all declared components and their concentration bases.", "Resolve the registry spelling against an authoritative identity record before treating supplier identifiers as an exact registry match." ], "characteristics": [ { "name": "Chemical identifier mapping", "kind": "relation", "unit_or_values": "Registry id linked to verified CAS, PubChem CID, EC identifier and structure record; unresolved mappings explicit", "why_it_matters": "Prevents a similar name from linking this entry to an isomer, salt or individual enantiomer." }, { "name": "Molecular connectivity", "kind": "category", "unit_or_values": "C6H5CH(NH2)CH3; formula C8H11N", "why_it_matters": "The position of the amino group distinguishes 1-phenylethylamine from 2-phenylethylamine." }, { "name": "Enantiomeric composition", "kind": "measurement", "unit_or_values": "R and S mole fractions or percentages; enantiomeric excess in %; method and uncertainty", "why_it_matters": "Determines whether a sample meets the intended racemic identity and use-specific tolerance." }, { "name": "Chemical assay", "kind": "measurement", "unit_or_values": "Mass %, mole % or chromatographic area %, explicitly distinguished", "why_it_matters": "Chemical purity does not establish enantiomeric composition, and assay bases are not interchangeable." }, { "name": "Water and impurity content", "kind": "measurement", "unit_or_values": "Water in mass % or mg/kg; identified impurities and residual solvents with reporting limits", "why_it_matters": "Sample composition can affect compatibility and suitability for a proposed chemical use." }, { "name": "Protonation and formulation state", "kind": "state", "unit_or_values": "Neat free base, free base in solution, partially neutralised, salt or unresolved; counterion and solvent where applicable", "why_it_matters": "Determines whether the material remains within this model's boundary." }, { "name": "Physical state", "kind": "state", "unit_or_values": "Solid, liquid, multiphase or unknown at recorded temperature and pressure", "why_it_matters": "Supports sample assessment and identifies discrepancies requiring investigation." }, { "name": "Phase-transition measurements", "kind": "measurement", "unit_or_values": "Melting or freezing range in °C; boiling range in °C at stated pressure", "why_it_matters": "Allows condition-aware comparison without treating supplier reference values as sample measurements." }, { "name": "Density, volatility and solubility", "kind": "measurement", "unit_or_values": "Density in g/mL; vapour pressure in Pa; solubility in g/L with solvent and temperature", "why_it_matters": "Supports quantity conversion, containment assessment and use selection." }, { "name": "Hazard and regulatory evidence", "kind": "relation", "unit_or_values": "Applicable SDS, hazard classes, exposure-limit sources and regulatory records with jurisdiction and revision date", "why_it_matters": "Connects decisions to evidence applicable to the actual material and location." }, { "name": "Use disposition", "kind": "state", "unit_or_values": "Unassessed, accepted for a named use, quarantined, rejected or awaiting retest", "why_it_matters": "Prevents identity or supplier grade alone from being treated as permission for every use." } ], "affordances": [ "Match a labelled sample to the registry entry using structural, identifier and stereochemical evidence.", "Compare chemical assay and R/S composition against requirements for a named use.", "Select identity, water-content or chiral-composition checks when existing evidence is insufficient.", "Assess whether observed physical properties agree with the documented free-base sample.", "Route a salt, solution or enantiomer-enriched material to the appropriate related model.", "Accept, quarantine or reject a sample for a specified use using current analytical and handling evidence." ], "agent_conduct": { "may": [ "Identify racemic 1-phenylethylamine from name, structure and identifiers.", "Distinguish it from 2-phenylethylamine and from its single enantiomers." ], "must_not": [ "Confuse it with phenethylamine stimulants or controlled substances in records.", "Help use it to make controlled or harmful substances.", "Recommend human consumption of a laboratory chemical.", "Report supplier specifications as batch measurements." ], "requires_human": [ "Approving the material for synthesis of medicines or other regulated products." ] }, "ethics": { "considerations": [ "Name confusion with psychoactive substances can stigmatize research or mislead users.", "Chemicals with similar names need precise identification to protect workers." ], "affected_parties": [ "Laboratory workers", "Researchers" ] }, "owners": { "steward": "The laboratory or person holding the material; the supplier answers for its stated purity.", "master_systems": [ "Chemical substance databases" ] }, "visual_identification": [ "A colourless liquid with an amine smell, supplied in labelled bottles.", "Racemic and single-enantiomer forms look identical; only the label and chiral analysis tell them apart." ], "failure_modes_and_hazards": [ "Corrosive to skin and eyes.", "Harmful if swallowed or absorbed through the skin.", "Name confusion with other phenethylamines causes record errors." ], "what_it_is_for": [ "This racemic amine is encountered as a reagent or intermediate in chemical research and synthesis.", "It can also serve as a starting mixture in studies of enantiomer separation and analytical methods that distinguish the two enantiomers.", "Its racemic composition matters when a proposed use requires a particular stereochemical composition." ], "standards_and_regulation": [ "The Globally Harmonized System of Classification and Labelling of Chemicals, issued by the United Nations, provides the framework for evaluating and communicating its chemical hazards where adopted into applicable rules.", "The Classification, Labelling and Packaging Regulation, Regulation (EC) No 1272/2008, adopted by the European Parliament and the Council of the European Union, governs applicable classification, labelling and packaging obligations when this substance is supplied in the European Union." ] }, "sources": [ { "id": "wikidata", "title": "Wikidata item Q3560549: DL-1-phenethylamine", "url": "https://www.wikidata.org/wiki/Q3560549", "url_status": "live", "what_it_supports": "identity and sense of the item", "checked_by": "wikidata-api" }, { "id": "wikipedia-en", "title": "Wikipedia: 1-Phenylethylamine", "url": "https://en.wikipedia.org/wiki/1-Phenylethylamine", "url_status": "live", "what_it_supports": "general description of the item", "checked_by": "wikidata-api sitelink" } ], "structure": { "bundles": [ { "id": "identity-and-isomer-boundaries", "name": "Identity and isomer boundaries", "description": "Establish which chemical entity the registry name denotes.", "rationale": "The abbreviated registry name is vulnerable to confusion with 2-phenylethylamine and stereochemically distinct materials.", "layers": [ { "id": "connectivity-and-identifiers", "name": "Connectivity and identifiers", "description": "Resolve names through structure and traceable identifier records.", "findings": [ { "id": "registry-identity-match", "name": "Registry identity match", "description": "Record the evidence connecting this registry entry to the proposed 1-phenylethylamine identity.", "questions": [ { "text": "Does the originating registry record identify C6H5CH(NH2)CH3 rather than C6H5CH2CH2NH2?", "kind": "definition", "id": "registry-identity-match-q01" }, { "text": "Which read source verifies the CAS, PubChem CID and EC identifiers for the intended racemate?", "kind": "provenance", "id": "registry-identity-match-q02" } ] } ] }, { "id": "free-base-boundary", "name": "Free-base boundary", "description": "Separate the neutral substance from salts and preparations.", "findings": [ { "id": "material-form-assignment", "name": "Material form assignment", "description": "Determine whether the sample represents the free base or a related material requiring another model.", "questions": [ { "text": "Is the sample neat free base, a solution, or a material containing a counterion?", "kind": "boundary", "id": "material-form-assignment-q01" }, { "text": "What composition evidence supports the assigned form beyond the container's product name?", "kind": "measurement", "id": "material-form-assignment-q02" } ] } ] } ] }, { "id": "racemic-composition-and-assay", "name": "Racemic composition and assay", "description": "Keep stereochemical identity separate from overall chemical purity.", "rationale": "A high chemical assay can coexist with an R/S ratio that does not satisfy a racemate specification.", "layers": [ { "id": "enantiomeric-balance", "name": "Enantiomeric balance", "description": "Represent the measured R/S ratio and its acceptance criteria.", "findings": [ { "id": "racemate-verification", "name": "Racemate verification", "description": "Treat the DL designation as an identity claim requiring suitable stereochemical evidence for sample acceptance.", "questions": [ { "text": "What R/S ratio and enantiomeric excess were measured by a validated chiral method?", "kind": "measurement", "id": "racemate-verification-q01" }, { "text": "What deviation from an equimolar mixture is acceptable for the stated use?", "kind": "boundary", "id": "racemate-verification-q02" } ] } ] }, { "id": "chemical-composition", "name": "Chemical composition", "description": "Account for assay basis, water, residual solvents and other impurities.", "findings": [ { "id": "assay-interpretation", "name": "Assay interpretation", "description": "Record what an assay measures and what its method leaves unresolved.", "questions": [ { "text": "Is reported purity a mass fraction or chromatographic area percentage, and which components are excluded?", "kind": "measurement", "id": "assay-interpretation-q01" }, { "text": "Which water, solvent and impurity limits determine whether this lot is suitable for its intended use?", "kind": "action", "id": "assay-interpretation-q02" } ] } ] } ] }, { "id": "physical-state-and-property-evidence", "name": "Physical state and property evidence", "description": "Describe the free base through condition-qualified observations and constants.", "rationale": "Property comparisons require temperature, pressure and sample composition to avoid false identity or quality conclusions.", "layers": [ { "id": "phase-behaviour", "name": "Phase behaviour", "description": "Relate sample state to melting, freezing and boiling evidence.", "findings": [ { "id": "phase-consistency", "name": "Phase consistency", "description": "Assess whether observed state and transition behaviour agree with the claimed material.", "questions": [ { "text": "What phase is observed at the recorded temperature and pressure?", "kind": "measurement", "id": "phase-consistency-q01" }, { "text": "Which measured or published transition ranges apply to the racemic free base at the relevant purity?", "kind": "provenance", "id": "phase-consistency-q02" } ] } ] }, { "id": "density-volatility-and-solubility", "name": "Density, volatility and solubility", "description": "Record properties needed for quantity conversion and physical compatibility decisions.", "findings": [ { "id": "condition-qualified-properties", "name": "Condition-qualified properties", "description": "Keep each property attached to its measurement conditions and material form.", "questions": [ { "text": "What density and vapour-pressure values are supported at the intended operating temperature?", "kind": "measurement", "id": "condition-qualified-properties-q01" }, { "text": "Does a solubility value specify solvent, temperature and acid-base conditions, including whether salt formation occurred?", "kind": "boundary", "id": "condition-qualified-properties-q02" } ] } ] } ] }, { "id": "amine-form-and-sample-integrity", "name": "Amine form and sample integrity", "description": "Track changes that could invalidate free-base identity or analytical acceptance.", "rationale": "Contact history and chemical conversion can change the relevant material identity without changing its inventory label.", "layers": [ { "id": "acid-base-form", "name": "Acid-base form", "description": "Represent neutralisation and counterion evidence.", "findings": [ { "id": "protonation-assessment", "name": "Protonation assessment", "description": "Identify evidence that material recorded as free base has been partly or fully converted to a salt.", "questions": [ { "text": "Is there analytical or process-history evidence of acid addition or counterion introduction?", "kind": "provenance", "id": "protonation-assessment-q01" }, { "text": "At what confirmed composition should the sample be linked to a salt or mixture model?", "kind": "boundary", "id": "protonation-assessment-q02" } ] } ] }, { "id": "storage-and-retest", "name": "Storage and retest", "description": "Connect storage history and analytical changes to sample disposition.", "findings": [ { "id": "integrity-review", "name": "Integrity review", "description": "Require evidence before accepting an aged or changed sample for further use.", "questions": [ { "text": "What storage, opening and contamination history is available for this lot?", "kind": "provenance", "id": "integrity-review-q01" }, { "text": "Which changes in appearance, assay, water content or impurity profile require quarantine or retesting?", "kind": "action", "id": "integrity-review-q02" } ] } ] } ] }, { "id": "hazards-and-use-eligibility", "name": "Hazards and use eligibility", "description": "Connect the actual sample to documented handling constraints and permitted applications.", "rationale": "Free-base identity, concentration, grade and jurisdiction all affect what an agent may authorise.", "layers": [ { "id": "handling-evidence", "name": "Handling evidence", "description": "Establish applicable hazard, exposure and compatibility information.", "findings": [ { "id": "applicable-safety-record", "name": "Applicable safety record", "description": "Use safety evidence matched to the racemic free base and the supplied composition.", "questions": [ { "text": "Which current SDS supports the sample's hazard classification, protective measures and incompatible-material restrictions?", "kind": "provenance", "id": "applicable-safety-record-q01" }, { "text": "Which exposure limits and flash-point data are applicable, and where are data unavailable?", "kind": "measurement", "id": "applicable-safety-record-q02" } ] } ] }, { "id": "grade-and-jurisdiction", "name": "Grade and jurisdiction", "description": "Evaluate a named use against analytical requirements and verified local obligations.", "findings": [ { "id": "use-specific-disposition", "name": "Use-specific disposition", "description": "Make acceptance conditional on the required grade, racemic tolerance and applicable rules.", "questions": [ { "text": "Does this lot's documentation satisfy the chemical-purity and stereochemical requirements of the proposed use?", "kind": "action", "id": "use-specific-disposition-q01" }, { "text": "Which jurisdiction-specific acquisition, transport, storage or disposal requirements have been verified for this exact identity?", "kind": "provenance", "id": "use-specific-disposition-q02" } ] } ] } ] }, { "id": "evidence-and-external-alignment", "name": "Evidence and external alignment", "description": "What the world already says about this thing, gathered so the model can be checked against it.", "rationale": "A model that cannot be lined up against existing standards, identifiers and practice cannot be adopted by anyone who already uses them.", "layers": [ { "id": "reported-evidence", "name": "Reported evidence", "description": "Findings from the breadth pass, kept separate from the structural claims.", "findings": [ { "id": "evidence-confidence-notes", "name": "Check these first", "description": "Recalled without web access and unsourced; every item is a lead to verify.", "evidence": [ "This description is recalled knowledge; no sources were consulted.", "Verify CAS, EC and PubChem identifiers against an explicitly racemic free-base record.", "Verify physical constants, purity, current hazard classifications and any applicable exposure limits against substance-specific documentation." ], "questions": [ { "id": "evidence-confidence-notes-q01", "text": "Which of these check these first hold for the sense of DL-1-phenethylamine this model covers, and on what evidence?", "kind": "provenance" } ] }, { "id": "evidence-identifiers", "name": "Identifiers and schemes", "description": "Recalled without web access and unsourced; every item is a lead to verify.", "evidence": [ { "scheme": "IUPAC nomenclature", "value_or_pattern": "rac-1-phenylethan-1-amine", "note": "Also called DL-alpha-methylbenzylamine; the racemic designation is part of the substance identity." }, { "scheme": "Molecular formula", "value_or_pattern": "C8H11N", "note": "The formula does not distinguish constitutional isomers or stereochemical composition." } ], "questions": [ { "id": "evidence-identifiers-q01", "text": "Which of these identifiers and schemes hold for the sense of DL-1-phenethylamine this model covers, and on what evidence?", "kind": "provenance" } ] }, { "id": "evidence-standards-and-regulation", "name": "Standards and regulation", "description": "Recalled without web access and unsourced; every item is a lead to verify.", "evidence": [ "United Nations Globally Harmonized System of Classification and Labelling of Chemicals (GHS): framework for communicating chemical hazards; the applicable classification requires verification." ], "questions": [ { "id": "evidence-standards-and-regulation-q01", "text": "Which of these standards and regulation hold for the sense of DL-1-phenethylamine this model covers, and on what evidence?", "kind": "provenance" } ] }, { "id": "evidence-real-world-use", "name": "Real-world use", "description": "Recalled without web access and unsourced; every item is a lead to verify.", "evidence": [ "Intermediate in organic synthesis, including preparation of amides and substituted amines.", "Racemic substrate for developing and evaluating enantiomer separation or kinetic resolution methods." ], "questions": [ { "id": "evidence-real-world-use-q01", "text": "Which of these real-world use hold for the sense of DL-1-phenethylamine this model covers, and on what evidence?", "kind": "provenance" } ] }, { "id": "evidence-measurements", "name": "Typical measurements", "description": "Recalled without web access and unsourced; every item is a lead to verify.", "evidence": [ { "quantity": "Molar mass", "typical_range": "121.18", "unit": "g/mol" }, { "quantity": "Enantiomeric composition of the ideal racemate", "typical_range": "50:50 R:S", "unit": "molar ratio" }, { "quantity": "Enantiomeric excess of the ideal racemate", "typical_range": "0", "unit": "%" } ], "questions": [ { "id": "evidence-measurements-q01", "text": "Which of these typical measurements hold for the sense of DL-1-phenethylamine this model covers, and on what evidence?", "kind": "provenance" } ] }, { "id": "evidence-failure-modes-and-hazards", "name": "Failure modes and hazards", "description": "Recalled without web access and unsourced; every item is a lead to verify.", "evidence": [ "Can cause corrosive injury to skin and eyes.", "Combustible organic liquid.", "Neutralization with acids can release heat.", "Confusing the racemate with an individual enantiomer can invalidate stereoselective synthesis or analytical results." ], "questions": [ { "id": "evidence-failure-modes-and-hazards-q01", "text": "Which of these failure modes and hazards hold for the sense of DL-1-phenethylamine this model covers, and on what evidence?", "kind": "provenance" } ] }, { "id": "evidence-regional-variation", "name": "Regional variation", "description": "Recalled without web access and unsourced; every item is a lead to verify.", "evidence": [ "Hazard labels and safety data sheet requirements depend on the jurisdiction implementing chemical classification rules." ], "questions": [ { "id": "evidence-regional-variation-q01", "text": "Which of these regional variation hold for the sense of DL-1-phenethylamine this model covers, and on what evidence?", "kind": "provenance" } ] }, { "id": "evidence-neighbours", "name": "Neighbouring kinds and how to tell them apart", "description": "Recalled without web access and unsourced; every item is a lead to verify.", "evidence": [ { "name": "2-Phenylethylamine", "difference": "Has structure C6H5CH2CH2NH2; DL-1-phenethylamine has the amino group on the carbon directly attached to the phenyl ring." }, { "name": "(R)-1-Phenylethan-1-amine", "difference": "Specifies the R enantiomer rather than an equal R/S mixture." }, { "name": "(S)-1-Phenylethan-1-amine", "difference": "Specifies the S enantiomer rather than an equal R/S mixture." }, { "name": "1-Phenylethan-1-aminium chloride", "difference": "Is the protonated hydrochloride salt with a chloride counterion rather than the neutral free base." } ], "questions": [ { "id": "evidence-neighbours-q01", "text": "Which of these neighbouring kinds and how to tell them apart hold for the sense of DL-1-phenethylamine this model covers, and on what evidence?", "kind": "provenance" } ] } ] } ] } ] }, "openQuestions": [ "Does the originating registry record confirm that DL-1-phenethylamine denotes racemic 1-phenylethylamine free base with CAS 618-36-0, and what are its verified PubChem CID and EC identifier?", "What validated chiral assay and R/S acceptance tolerance should distinguish an acceptable racemate from an enantiomer-enriched sample?", "Which primary measurements establish reliable phase-transition, solubility and volatility values with complete conditions and purity information?", "What stability evidence supports storage conditions, retest intervals and impurity limits for opened containers of the racemic free base?", "Which current authoritative records establish hazard classifications, exposure limits and jurisdiction-specific obligations for the exact substance?" ], "statistics": { "bundles": 6, "layers": 11, "findings": 18, "questions": 28 } }