CAS 39021-62-0|1-Methyl-1H-imidazole-5-carbaldehyde|1-methyl-1H-imidazole-5-carbaldehyde|3-methylimidazole-4-carbaldehyde|1-methyl-1H-imidazole-5-carbaldehyde|1-Methyl-5-imidazolecarboxaldehyde|1-甲...

基本信息

化学结构

分子式

C₅H₆N₂O

分子量

110.11394

精确质量

110.04801282

电荷

InChI

InChI=1S/C5H6N2O/c1-7-4-6-2-5(7)3-8/h2-4H,1H3

InChIKey

BNYKZFOZWZMEJD-UHFFFAOYSA-N

Canonic Smiles

Cn1cncc1C=O

Isomeric Smiles

n1cn(c(c1)C=O)C

计算属性

JChem

质子受体

质子供体

LogD (pH = 5.5)

-0.42938066

LogD (pH = 7.4)

-0.29143584

Log P

-0.28904468

摩尔折射率

30.371

极化性

10.830178

极化表面积

34.89

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

1-methyl-1H-imidazole-5-carbaldehyde

别名

1-Methyl-1H-imidazole-5-carbaldehyde1-Methyl-5-imidazolecarboxaldehyde1-甲基-1H-咪唑-5-甲醛5-Formyl-1-methyl-1H-imidazole1-Methyl-1H-imidazole-5-carboxaldehyde1-Methylimidazole-5-carboxaldehyde1-甲基咪唑-5-甲醛3-Methyl-3H-imidazole-4-carbaldehyde1-methylimidazole-5-carboxaldehyde

IUPAC传统名

3-methylimidazole-4-carbaldehyde 1-methyl-1H-imidazole-5-carbaldehyde

名称和标识

数据登录号

PubChem CID

CAS号

MDL号

PubChem SID