N-Benzylideneaniline

HCID 10858

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Basic information

CAS: 1750-36-3
Standard SMILES: C(=Nc1ccccc1)c1ccccc1
InChIKey: UVEWQKMPXAHFST-UHFFFAOYSA-N
Molecular formula: C13H11N
Average molar mass: 181.23 g/mol
Monoisotopic mass: 181.08914935

Names & identifiers

Preferred name: N-Benzylideneaniline
IUPAC: N,1-diphenylmethanimine
English name: Benzenamine, N-(phenylmethylene)-, (E)-
Molecular formula: C13H11N
Molecular weight: 181.23314

Names & synonyms

N-Benzylideneaniline538-51-2N-BenzalanilineBenzylidene-phenyl-amineN-PhenylbenzenemethanimineNSC 736N-Phenylbenzylideneimine(Benzylidene)phenylamineRefChem:162961UVEWQKMPXAHFST-SDNWHVSQSA-NUVEWQKMPXAHFST-UHFFFAOYSA-NBenzylideneaniline

Show more names

Reaxys ID: 4249797Reaxys ID: 4841878Reaxys ID: 4841877(E)-N-benzylenebenzeneamine(E)-N-benzylidenebenzenamineBenzenamine, N-(phenylmethylene)-, (E)-Benzenamine, N-(phenylmethylene)-, [N(E)]-

(E)-N-BenzylideneanilineBENZALANILINEN,1-diphenylmethanimine1750-36-3N-(phenylmethylene)benzenamineBenzaldehyde anilN-Benzylidenaniline(E)-N,1-diphenylmethanimine

Database identifiers

CAS: 1750-36-3、33993-35-0、538-51-2
PubChem CID: 10858
DTXSID: DTXSID10870599
ChEMBL: CHEMBL1256376
UNII: 09N8O50V91、M1JG410QVC
EC Number: 208-694-9
Nikkaji: J3.805.938F、J380.890D、J95.738K

Properties

Computed structural properties

XLogP: 2.8
Topological polar surface area: 12.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 2
Heavy atoms: 14
Formal charge: 0
Complexity: 174

Experimental & physicochemical properties

PolymersNitrogen Compounds -> Amines, Polyaromatic

LogP2.82

Vapor Pressure0.00299 [mmHg]

Physical DescriptionSolid; [Merck Index] Yellow crystalline powder; [Alfa Aesar MSDS]

Physicochemical properties

Melting point: 48 · 48-50 °C
Boiling point: 300 · 300.0±11.0 °C(Predicted)
Density: 0.95 · 0.95±0.1 g/cm3(Predicted)
pka: 3.23 · 3.23±0.30(Predicted)
FDA UNII: 9 N8O50V91 · 09N8O50V91
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

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

Aggregated GHS information provided per 47 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazards SummaryAn irritant; [Merck Index] A skin and strong eye irritant; [Alfa Aesar MSDS] See 1,2-Diphenylethylene. See N-Ethyl-N-benzylaniline and Diphenylamine.

Hazard Classes and CategoriesSkin Irrit. 2 (100%)