CAS 32673-41-9|1H-imidazol-4-ylmethanol hydrochloride|4-(hydroxymethyl)imidazole hydrochloride|4-(Hydroxymethyl)imidazole hydrochloride|1H-imidazol-5-ylmethanol hydrochloride|imidazole-4-methanol hy...

基本信息

化学结构

分子式

C₄H₇ClN₂O

分子量

134.56418

精确质量

134.02469053

电荷

InChI

InChI=1S/C4H6N2O.ClH/c7-2-4-1-5-3-6-4;/h1,3,7H,2H2,(H,5,6);1H

InChIKey

WFNASTYGEKUMIY-UHFFFAOYSA-N

Canonic Smiles

OCc1c[nH]cn1.Cl

Isomeric Smiles

[nH]1cc(nc1)CO.Cl

计算属性

JChem

Acid pKa

12.725339

质子受体

质子供体

LogD (pH = 5.5)

-1.34526

LogD (pH = 7.4)

-0.8466268

Log P

-0.8311021

摩尔折射率

25.3065

极化性

9.626726

极化表面积

48.91

可自由旋转的化学键

里宾斯基五规则

true

数据来源

名称和标识

IUPAC标准名

1H-imidazol-4-ylmethanol hydrochloride 1H-imidazol-5-ylmethanol hydrochloride (1H-imidazol-4-yl)methanol hydrochloride

IUPAC传统名

4-(hydroxymethyl)imidazole hydrochloride imidazole-4-methanol hydrochloride 3H-imidazol-4-ylmethanol hydrochloride

别名

4-(Hydroxymethyl)imidazole hydrochloride4-HYDROXYMETHYLIMIDAZOLE4-Imidazolemethanol hydrochloride(1H-imidazol-5-yl)methanol hydrochloride5-(Hydroxymethyl)-1H-imidazole hydrochloride(1H-Imidazol-4-yl)methanol hydrochloride4-(Hydroxymethyl)-1H-imidazole hydrochloride 98+%4-Hydroxymethylimidazole hydrochloride4-羟甲基咪唑盐酸盐4-Imidazolemethanol hydrochloride4-(羟基甲基)咪唑盐酸盐4-Imidazolemethanol hydrochloride1H-imidazol-5-ylmethanol hydrochloride1H-Imidazol-5-ylmethanol Hydrochloride4-(Hydroxymethyl)imidazole, Hydrochloride1H-Imidazole-4-methanol Monohydrochloride4-Imidazolemethanol, Hydrochloride4-(Hydroxymethyl)imidazole hydrochloride

名称和标识

数据登录号

MDL号

CAS号

EC号

Beilstein号

PubChem SID

2427846224853153162029832