N-Benzylideneaniline

HCID 10858CAS 1750-36-3

基本情報

標準SMILES: C(=Nc1ccccc1)c1ccccc1
InChIKey: UVEWQKMPXAHFST-UHFFFAOYSA-N
分子式: C13H11N
平均分子量: 181.23 g/mol
単同位体質量: 181.08914935

名称と識別子

優先名称: N-Benzylideneaniline
IUPAC: N,1-diphenylmethanimine
英語名: Benzenamine, N-(phenylmethylene)-, (E)-
分子式: C13H11N
分子量: 181.23314

名称と別名

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

名称をさらに表示

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

データベース識別子

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

物性

構造計算による物性

XLogP: 2.8
極性表面積: 12.4 Å²
水素結合供与体数: 0
水素結合受容体数: 1
回転可能結合数: 2
重原子数: 14
形式電荷: 0
複雑度: 174

実験および物理化学的性質

PolymersNitrogen Compounds -> Amines, Polyaromatic

LogP2.82

Vapor Pressure0.00299 [mmHg]

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

物理化学的性質

融点: 48 · 48-50 °C
沸点: 300 · 300.0±11.0 °C(Predicted)
比重(密度): 0.95 · 0.95±0.1 g/cm3(Predicted)
酸解離定数(Pka): 3.23 · 3.23±0.30(Predicted)

安全と法規制

GHS分類

GHS Classification · 4 件

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.

危険有害性情報

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%)