3-Phenylprop-2-en-1-amine

HCID 20369

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Basic information

CAS: 4335-60-8
Standard SMILES: NCC=Cc1ccccc1
InChIKey: RDAFNSMYPSHCBK-UHFFFAOYSA-N
Molecular formula: C9H11N
Average molar mass: 133.19 g/mol
Monoisotopic mass: 133.08914936

Names & identifiers

Preferred name: 3-Phenylprop-2-en-1-amine
IUPAC: 3-phenylprop-2-en-1-amine
English name: 2-Propen-1-amine, 3-phenyl-, (E)-
Molecular formula: C9H11N
Molecular weight: 133.19034

Names & synonyms

3-phenylprop-2-en-1-amine3-phenyl-2-propene-1-ylaminecinnamyl amineaminomethylstyreneAminomethyl styrene2-Propen-1-amine, 3-phenyl-, (E)-SCHEMBL1871SCHEMBL1872SCHEMBL5950747SCHEMBL27633904SCHEMBL27831779DTXSID10195830

Show more names

(E)-3-phenylprop-2-en-1-amine(2E)-3-phenyl-2-propen-1-amine2-Propen-1-amine, 3-phenyl-, (2E)-

RDAFNSMYPSHCBK-UHFFFAOYSA-NAKOS017266356DB-339490

Database identifiers

CAS: 4335-60-8
PubChem CID: 20369
DTXSID: DTXSID10195830

Properties

Computed structural properties

XLogP: 1.7
Topological polar surface area: 26 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 2
Heavy atoms: 10
Formal charge: 0
Complexity: 101

Physicochemical properties

FDA UNII: 5188 QAR · KRU5188QAR
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319
Precautionary statements: 264 · P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362

Safety & regulation

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H315-H319
Precautionary statements: P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362