CAS 38585-62-5|(4-Methyl-1H-imidazol-5-yl)methanol hydrochloride|5-(Hydroxymethyl)-4-methyl-1H-imidazole hydrochloride|(4-methyl-1H-imidazol-5-yl)methanol hydrochloride|(5-methyl-3H-imidazol-4-yl)me...

基本信息

化学结构

分子式

C₅H₉ClN₂O

分子量

148.59076

精确质量

148.0403406

电荷

InChI

InChI=1S/C5H8N2O.ClH/c1-4-5(2-8)7-3-6-4;/h3,8H,2H2,1H3,(H,6,7);1H

InChIKey

UBHDUFNPQJWPRQ-UHFFFAOYSA-N

Canonic Smiles

Cc1nc[nH]c1CO.Cl

Isomeric Smiles

c1(c(nc[nH]1)C)CO.Cl

计算属性

JChem

Acid pKa

13.722291

质子受体

质子供体

LogD (pH = 5.5)

-1.565053

LogD (pH = 7.4)

-0.8958958

Log P

-0.86120266

摩尔折射率

30.2977

极化性

11.383269

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

别名

(4-Methyl-1H-imidazol-5-yl)methanol hydrochloride5-(Hydroxymethyl)-4-methyl-1H-imidazole hydrochloride4-Methyl-5-imidazolemethanol hydrochloride4-甲基-5-羟甲基咪唑盐酸盐(5-methyl-1H-imidazol-4-yl)methanol hydrochloride5-Hydroxymethyl-4-methylimidazole hydrochloride(4-methyl-1H-imidazol-5-yl)methanol hydrochloride4-methyl-5-imidazolemethanol hydrochloride

IUPAC标准名

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

IUPAC传统名

(5-methyl-3H-imidazol-4-yl)methanol hydrochloride (5-methyl-1H-imidazol-4-yl)methanol hydrochloride

名称和标识

数据登录号

MDL号

MFCD00012696MFCD00040986

CAS号

38585-62-5

PubChem SID

24853630162030048