2-(4-Tert-butylphenyl)ethan-1-amine

HCID 2735689

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 91552-82-8
標準SMILES: CC(C)(C)c1ccc(CCN)cc1
InChIKey: WKCZSFRAGKIIKN-UHFFFAOYSA-N
分子式: C12H19N
平均分子量: 177.29 g/mol
単同位体質量: 177.15174961

名称と識別子

優先名称: 2-(4-Tert-butylphenyl)ethan-1-amine
IUPAC: 2-(4-tert-butylphenyl)ethanamine
英語名: 2-(4-tert-Butylphenyl)ethylamine
分子式: C12H19N
分子量: 177.29

名称と別名

2-(4-tert-butylphenyl)ethan-1-amineRefChem:458376671-024-291552-82-82-(4-tert-Butylphenyl)ethylamine2-(4-(tert-Butyl)phenyl)ethanamine2-(4-tert-butylphenyl)ethanamine2-(4-tert-butylphenyl)ethyalmineMFCD00082596Butylphenylethylamine; 97%CHEMBL4748824-(tert-butyl)phenethylamine

名称をさらに表示

RARECHEM AL BW 0742Butylphenylethylamine2-(4-tert-Butylphenyl)ethylamin2-(4-tert-Butylphenyl)ethylamine 97%4-(1,1-Dimethylethyl)-benzeneethanamine

Benzeneethanamine, 4-(1,1-dimethylethyl)-4-tert-butyl-phenethylamine2-(4-t-Buphenyl)ethylamineSCHEMBL716077SCHEMBL6314116DTXSID50370886WKCZSFRAGKIIKN-UHFFFAOYSA-N2-[4-(t-butyl)phenyl]ethylamine

データベース識別子

CAS: 91552-82-8
PubChem CID: 2735689
DTXSID: DTXSID50370886
ChEMBL: CHEMBL474882
EC Number: 671-024-2
Nikkaji: J1.046.835C

物性

構造計算による物性

XLogP: 2.9
極性表面積: 26 Å²
水素結合供与体数: 1
水素結合受容体数: 1
回転可能結合数: 3
重原子数: 13
形式電荷: 0
複雑度: 138

物理化学的性質

沸点: 80 °C · 80 °C
比重(密度): 0.92 · 0.920±0.06 g/cm3(Predicted)
貯蔵温度: 2 · 2-8°C
酸解離定数(Pka): 10.04 · 10.04±0.10(Predicted)
CAS データベース: 91552 · 91552-82-8(CAS DataBase Reference)

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H227 (50%): Combustible liquid [Warning Flammable liquids]

P210, P260, P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P370+P378, P403, 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.