2-(Aminomethyl)-4-tert-butylphenol hydrochloride

HCID 21296950CAS 63712-11-8

基本情報

標準SMILES: CC(C)(C)c1ccc(O)c(CN)c1.Cl
InChIKey: NMSODEPIDMLBGW-UHFFFAOYSA-N
分子式: C11H18ClNO
平均分子量: 215.72 g/mol
単同位体質量: 215.10769188

名称と識別子

優先名称: 2-(Aminomethyl)-4-tert-butylphenol hydrochloride
IUPAC: 2-(aminomethyl)-4-tert-butylphenol;hydrochloride

名称と別名

63712-11-82-(AMINOMETHYL)-4-TERT-BUTYLPHENOL HYDROCHLORIDECHEMBL545638SCHEMBL10639643DTXSID50612112NMSODEPIDMLBGW-UHFFFAOYSA-N2-(Aminomethyl)-4-(tert-butyl)phenol hydrochloride2-aminomethyl-4-(1,1-dimethylethyl)phenol hydrochloride2-aminomethyl-4-(1,1-dimethylethyl)-phenol hydrochloride2-(Aminomethyl)-4-tert-butylphenol--hydrogen chloride (1/1)

データベース識別子

CAS: 63712-11-8
PubChem CID: 21296950
DTXSID: DTXSID50612112
ChEMBL: CHEMBL545638
EC Number: 162-262-3

物性

構造計算による物性

極性表面積: 46.3 Å²
水素結合供与体数: 3
水素結合受容体数: 2
回転可能結合数: 2
重原子数: 14
形式電荷: 0
複雑度: 162

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

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

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.