N-Methyl-1-phenylethylamine

HCID 577403CAS 32512-24-6

Substructure search Find similar structures

Basic information

Standard SMILES: CNC(C)c1ccccc1
InChIKey: RCSSHZGQHHEHPZ-UHFFFAOYSA-N
Molecular formula: C9H13N
Average molar mass: 135.21 g/mol
Monoisotopic mass: 135.10479942

Overview

N-methyl-1-phenylethylamine has been reported in Vachellia rigidula with data available.

Names & identifiers

Preferred name: N-Methyl-1-phenylethylamine
IUPAC: N-methyl-1-phenylethanamine
English name: N-methyl-1-phenethylamine
Molecular formula: C9H13N
Molecular weight: 135.21

Names & synonyms

N-Methyl-1-phenylethanamine32512-24-6methyl(1-phenylethyl)amineN-methyl-1-phenylethylamineMapea8V1UF8Q1P1N,alpha-Dimethylbenzenemethanaminen,alpha-dimethylbenzylaminealpha,N-DimethylbenzylamineBenzenemethanamine, N,.alpha.-dimethyl-Benzylamine, N,alpha-dimethyl-DTXSID901342325

Show more names

N-methyl-1-phenethylamineBenzenemethanamine, N,α-dimethyl-N-Methyl-1-phenylethylamine hydrochloride

.ALPHA.,N-DIMETHYLBENZYLAMINEN,.ALPHA.-DIMETHYLBENZYLAMINEBenzenemethanamine, N,alpha-dimethyl-BENZYLAMINE, N,.ALPHA.-DIMETHYL-N,.ALPHA.-DIMETHYLBENZENEMETHANAMINERefChem:830330DTXCID70881186823-889-4

Database identifiers

CAS: 32512-24-6
PubChem CID: 577403
DTXSID: DTXSID901342325
UNII: 8V1UF8Q1P1
EC Number: 823-889-4
Nikkaji: J544.963D

Properties

Computed structural properties

XLogP: 1.7
Topological polar surface area: 12 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 2
Heavy atoms: 10
Formal charge: 0
Complexity: 84.7

Experimental & physicochemical properties

Collision Cross Section138.1 Å² [M+Na]+

Physicochemical properties

Boiling point: 178.7 · 178.7±9.0 °C(Predicted)
Density: 0.911 · 0.911±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C(protect from light)
pka: 9.77 · 9.77±0.10(Predicted)
Appearance: Colorless to light yellow Liquid
FDA UNII: 8 V1UF8Q1P1 · 8V1UF8Q1P1
Symbol(GHS): 5 · GHS05,GHS07
Signal word: Danger
Hazard statements: 302 · H302+H312-H314
Precautionary statements: 260 · P260-P280-P301+P312+P330-P301+P330+P331-P303+P361+P353-P305+P351+P338
HS Code: 2921490090 · 2921490090

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]

P233, P260, P261, P264, P270, P271, P272, P273, P280, P284, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P333+P317, P342+P316, P362+P364, P363, P403, P405, and P501 (click each P-code to see the statement)

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

Hazard information

Hazard Classes and CategoriesSkin Corr. 1B (66.7%)

Safety data

hs_code: 2921490090
Signal word: Danger
Symbol(GHS): GHS05,GHS07
Hazard statements: H302+H312-H314
Precautionary statements: P260-P280-P301+P312+P330-P301+P330+P331-P303+P361+P353-P305+P351+P338