DL-1-phenethylamine
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.
Bundle → Layer → Finding → Questions Filled
6 bundles · 11 layers · 18 findings · 28 questions
Identity and isomer boundaries Establish which chemical entity the registry name denotes.
Connectivity and identifiers
Resolve names through structure and traceable identifier records.
Registry identity match
Record the evidence connecting this registry entry to the proposed 1-phenylethylamine identity.
- Does the originating registry record identify C6H5CH(NH2)CH3 rather than C6H5CH2CH2NH2? definition
- Which read source verifies the CAS, PubChem CID and EC identifiers for the intended racemate? provenance
Free-base boundary
Separate the neutral substance from salts and preparations.
Material form assignment
Determine whether the sample represents the free base or a related material requiring another model.
- Is the sample neat free base, a solution, or a material containing a counterion? boundary
- What composition evidence supports the assigned form beyond the container's product name? measurement
Racemic composition and assay Keep stereochemical identity separate from overall chemical purity.
Enantiomeric balance
Represent the measured R/S ratio and its acceptance criteria.
Racemate verification
Treat the DL designation as an identity claim requiring suitable stereochemical evidence for sample acceptance.
- What R/S ratio and enantiomeric excess were measured by a validated chiral method? measurement
- What deviation from an equimolar mixture is acceptable for the stated use? boundary
Chemical composition
Account for assay basis, water, residual solvents and other impurities.
Assay interpretation
Record what an assay measures and what its method leaves unresolved.
- Is reported purity a mass fraction or chromatographic area percentage, and which components are excluded? measurement
- Which water, solvent and impurity limits determine whether this lot is suitable for its intended use? action
Physical state and property evidence Describe the free base through condition-qualified observations and constants.
Phase behaviour
Relate sample state to melting, freezing and boiling evidence.
Phase consistency
Assess whether observed state and transition behaviour agree with the claimed material.
- What phase is observed at the recorded temperature and pressure? measurement
- Which measured or published transition ranges apply to the racemic free base at the relevant purity? provenance
Density, volatility and solubility
Record properties needed for quantity conversion and physical compatibility decisions.
Condition-qualified properties
Keep each property attached to its measurement conditions and material form.
- What density and vapour-pressure values are supported at the intended operating temperature? measurement
- Does a solubility value specify solvent, temperature and acid-base conditions, including whether salt formation occurred? boundary
Amine form and sample integrity Track changes that could invalidate free-base identity or analytical acceptance.
Acid-base form
Represent neutralisation and counterion evidence.
Protonation assessment
Identify evidence that material recorded as free base has been partly or fully converted to a salt.
- Is there analytical or process-history evidence of acid addition or counterion introduction? provenance
- At what confirmed composition should the sample be linked to a salt or mixture model? boundary
Storage and retest
Connect storage history and analytical changes to sample disposition.
Integrity review
Require evidence before accepting an aged or changed sample for further use.
- What storage, opening and contamination history is available for this lot? provenance
- Which changes in appearance, assay, water content or impurity profile require quarantine or retesting? action
Hazards and use eligibility Connect the actual sample to documented handling constraints and permitted applications.
Handling evidence
Establish applicable hazard, exposure and compatibility information.
Applicable safety record
Use safety evidence matched to the racemic free base and the supplied composition.
- Which current SDS supports the sample's hazard classification, protective measures and incompatible-material restrictions? provenance
- Which exposure limits and flash-point data are applicable, and where are data unavailable? measurement
Grade and jurisdiction
Evaluate a named use against analytical requirements and verified local obligations.
Use-specific disposition
Make acceptance conditional on the required grade, racemic tolerance and applicable rules.
- Does this lot's documentation satisfy the chemical-purity and stereochemical requirements of the proposed use? action
- Which jurisdiction-specific acquisition, transport, storage or disposal requirements have been verified for this exact identity? provenance
Evidence and external alignment What the world already says about this thing, gathered so the model can be checked against it.
Reported evidence
Findings from the breadth pass, kept separate from the structural claims.
Check these first
Recalled without web access and unsourced; every item is a lead to verify.
- Which of these check these first hold for the sense of DL-1-phenethylamine this model covers, and on what evidence? provenance
Identifiers and schemes
Recalled without web access and unsourced; every item is a lead to verify.
- Which of these identifiers and schemes hold for the sense of DL-1-phenethylamine this model covers, and on what evidence? provenance
Standards and regulation
Recalled without web access and unsourced; every item is a lead to verify.
- Which of these standards and regulation hold for the sense of DL-1-phenethylamine this model covers, and on what evidence? provenance
Real-world use
Recalled without web access and unsourced; every item is a lead to verify.
- Which of these real-world use hold for the sense of DL-1-phenethylamine this model covers, and on what evidence? provenance
Typical measurements
Recalled without web access and unsourced; every item is a lead to verify.
- Which of these typical measurements hold for the sense of DL-1-phenethylamine this model covers, and on what evidence? provenance
Failure modes and hazards
Recalled without web access and unsourced; every item is a lead to verify.
- Which of these failure modes and hazards hold for the sense of DL-1-phenethylamine this model covers, and on what evidence? provenance
Regional variation
Recalled without web access and unsourced; every item is a lead to verify.
- Which of these regional variation hold for the sense of DL-1-phenethylamine this model covers, and on what evidence? provenance
Neighbouring kinds and how to tell them apart
Recalled without web access and unsourced; every item is a lead to verify.
- 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? provenance
Classifiers Filled
- Family
- Thing Registry
- Category
- Physical world and living systems
- Entry kind
- thing
- Plane
- PHY
- Domain
- PHY.MAT
- Other names and narrower kinds
- (-)-1-phenethylamine, (+)-1-phenethylamine
What it is Filled
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.
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
Why it exists Filled
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.
Distinguishing features Filled
- 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.
What robots and AI may and may not do Filled
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.
Only with a human decision
- Approving the material for synthesis of medicines or other regulated products.
May
- Identify racemic 1-phenylethylamine from name, structure and identifiers.
- Distinguish it from 2-phenylethylamine and from its single enantiomers.
Moral aspects Filled
- Name confusion with psychoactive substances can stigmatize research or mislead users.
- Chemicals with similar names need precise identification to protect workers.
Who is affected
- Laboratory workers
- Researchers
Owners Filled
Steward
The laboratory or person holding the material; the supplier answers for its stated purity.
Master systems
- Chemical substance databases
Links to other meta-models Filled
parent
- Q121144720 - registry parent class
- Q73304699 - registry parent class
What else AI and robots need to interact with it Filled
Identity and identifiers required Filled
- Vercy registry: vr.tr.dl-1-phenethylamine
- Wikidata: Q3560549 (https://www.wikidata.org/wiki/Q3560549)
Direct properties required Filled
- Chemical identifier mapping: Registry id linked to verified CAS, PubChem CID, EC identifier and structure record; unresolved mappings explicit
- Molecular connectivity: C6H5CH(NH2)CH3; formula C8H11N
- Enantiomeric composition: R and S mole fractions or percentages; enantiomeric excess in %; method and uncertainty
- Chemical assay: Mass %, mole % or chromatographic area %, explicitly distinguished
- Water and impurity content: Water in mass % or mg/kg; identified impurities and residual solvents with reporting limits
- Protonation and formulation state: Neat free base, free base in solution, partially neutralised, salt or unresolved; counterion and solvent where applicable
- Physical state: Solid, liquid, multiphase or unknown at recorded temperature and pressure
- Phase-transition measurements: Melting or freezing range in °C; boiling range in °C at stated pressure
- Density, volatility and solubility: Density in g/mL; vapour pressure in Pa; solubility in g/L with solvent and temperature
- Hazard and regulatory evidence: Applicable SDS, hazard classes, exposure-limit sources and regulatory records with jurisdiction and revision date
- Use disposition: Unassessed, accepted for a named use, quarantined, rejected or awaiting retest
Recognition required Filled
- 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.
Capabilities and actions required Filled
- 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.
Hazards and failure modes required Filled
- Corrosive to skin and eyes.
- Harmful if swallowed or absorbed through the skin.
- Name confusion with other phenethylamines causes record errors.
Standards and interfaces required Filled
- 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.
Context of use required Filled
- 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.
Sources Filled
- Wikidata item Q3560549: DL-1-phenethylamine - identity and sense of the item
- Wikipedia: 1-Phenylethylamine - general description of the item
Open questions
- 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?
Machine files
Provenance
thing registry research (pass 2) · unreviewed
Built from: models/things/publications/thing-q3560549/spec.json