1,3-Diphenyl-2-aminopropane

HCID 77960

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 4275-43-8
Standard SMILES: NC(Cc1ccccc1)Cc1ccccc1
InChIKey: BWYYVSNVUCFQQN-UHFFFAOYSA-N
Molecular formula: C15H17N
Average molar mass: 211.3 g/mol
Monoisotopic mass: 211.13609954

Overview

structure given in the first source

Names & identifiers

Preferred name: 1,3-Diphenyl-2-aminopropane
IUPAC: 1,3-diphenylpropan-2-amine
English name: 1,3-diphenyl-2-aminopropane
Molecular formula: C15H17N
Molecular weight: 211.3

Names & synonyms

1,3-diphenylpropan-2-amine4275-43-81,3-Diphenyl-2-aminopropanealpha-BenzylphenethylamineMDE5MS815ANSC-17142DTXSID50195415Benzeneethanamine, alpha-(phenylmethyl)-RefChem:72816DTXCID60117906860-898-21-Benzyl-2-phenyl-ethylamine

Show more names

Benzeneethanamine, α-(phenylmethyl)-1,3-Diphenylpropan-2-amine - [D94470]

1,3-diphenyl-2-propanamineMFCD00449548.alpha.-BenzylphenethylamineCHEMBL254341,3-diphenylprop-2-ylamineNSC 17142UNII-MDE5MS815ACambridge id 5102187

Database identifiers

CAS: 4275-43-8
PubChem CID: 77960
DTXSID: DTXSID50195415
ChEMBL: CHEMBL25434
UNII: MDE5MS815A
EC Number: 860-898-2
Nikkaji: J749.969H

Properties

Computed structural properties

XLogP: 3.4
Topological polar surface area: 26 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 4
Heavy atoms: 16
Formal charge: 0
Complexity: 158

Experimental & physicochemical properties

LogP3.35

Physicochemical properties

Melting point: 48 · 48-49 °C
Boiling point: 140 · 140-142 °C(Press: 20 Torr)
Density: 1.038 · 1.038±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C, protect from light
pka: 9.21 · 9.21±0.10(Predicted)
Appearance: White to off-white Solid
FDA UNII: 5 MS815A · MDE5MS815A
Symbol(GHS): 5 · GHS05,GHS07
Signal word: Danger
Hazard statements: 302 · H302-H312-H315-H318-H332-H335
Precautionary statements: 261 · P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P310-P330-P332+P313-P362-P403+P233-P405-P501

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

Signal word: Danger
Symbol(GHS): GHS05,GHS07
Hazard statements: H302-H312-H315-H318-H332-H335
Precautionary statements: P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P310-P330-P332+P313-P362-P403+P233-P405-P501