1-Phenylcyclopropanemethanamine

HCID 70287

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Basic information

CAS: 935-42-2
Standard SMILES: NCC1(c2ccccc2)CC1
InChIKey: FUEMGCALFIHXAS-UHFFFAOYSA-N
Molecular formula: C10H13N
Average molar mass: 147.22 g/mol
Monoisotopic mass: 147.10479942

Overview

RN & structure given in first source; RN not in Chemline 1/86

Names & identifiers

Preferred name: 1-Phenylcyclopropanemethanamine
IUPAC: (1-phenylcyclopropyl)methanamine
English name: 1-phenylcyclopropanemethylamine
Molecular formula: C10H13N
Molecular weight: 147.22

Names & synonyms

935-42-21-phenylcyclopropanemethanamine1-(Phenylcyclopropyl)methylamineDTXSID20239451RefChem:4282551-PCPMADTXCID40161942213-302-4(1-phenylcyclopropyl)methanamine(1-phenylcyclopropyl)methylamine1-Phenylcyclopropanemethylamine1-(1-PHENYLCYCLOPROPYL)METHANAMINE

Show more names

MFCD06213079CHEMBL61251C-(1-Phenyl-cyclopropyl)-methylamine(phenylcyclopropyl)methylamineCyclopropanemethanamine, 1-phenyl-EINECS 213-302-4SCHEMBL1492704SCHEMBL28300753

Database identifiers

CAS: 935-42-2
PubChem CID: 70287
DTXSID: DTXSID20239451
ChEMBL: CHEMBL61251
EC Number: 213-302-4
Nikkaji: J298.527F

Properties

Computed structural properties

XLogP: 1.5
Topological polar surface area: 26 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 2
Heavy atoms: 11
Formal charge: 0
Complexity: 132

Physicochemical properties

Melting point: 230 · 230-233 °C
Boiling point: 40 · 40-50℃
Density: 1.047 · 1.047±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
pka: 10.36 · 10.36±0.29(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
Hazard Codes: C
Risk Statements: 22 · 22-34
Safety Statements: 23 · 23-26-36/37/39-45

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 30 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.