CAS 4073-98-7|4,4'-Methylenebis(2,6-dimethylaniline)|4-(4-Amino-3,5-dimethylbenzyl)-2,6-dimethylaniline|4-[(4-amino-3,5-dimethylphenyl)methyl]-2,6-dimethylaniline|4,4'-Methylenebis(2,6-dimethylanili...

基本信息

化学结构

分子式

C₁₇H₂₂N₂

分子量

254.36998

精确质量

254.17829871

电荷

InChI

InChI=1S/C17H22N2/c1-10-5-14(6-11(2)16(10)18)9-15-7-12(3)17(19)13(4)8-15/h5-8H,9,18-19H2,1-4H3

InChIKey

OMHOXRVODFQGCA-UHFFFAOYSA-N

Canonic Smiles

Cc1cc(Cc2cc(C)c(c(c2)C)N)cc(c1N)C

Isomeric Smiles

Nc1c(cc(cc1C)Cc1cc(c(c(c1)C)N)C)C

计算属性

JChem

质子受体

质子供体

LogD (pH = 5.5)

4.416775

LogD (pH = 7.4)

4.460298

Log P

4.4608736

摩尔折射率

85.3608

极化性

31.075487

极化表面积

52.04

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

4,4'-Methylenebis(2,6-dimethylaniline)4-(4-Amino-3,5-dimethylbenzyl)-2,6-dimethylaniline4,4'-Methylenebis(2,6-dimethylaniline)4,4'-Methylenebis(2,6-dimethylaniline)3,3',5,5'-Tetramethyl-4,4'-diaminodiphenylmethane4,4'-Methylenebis(2,6-xylidine)4,4′-亚甲基双(2,6-二甲基苯胺)4,4′-Methylenebis(2,6-dimethylaniline)

IUPAC标准名

4-[(4-amino-3,5-dimethylphenyl)methyl]-2,6-dimethylaniline

IUPAC传统名

4-[(4-amino-3,5-dimethylphenyl)methyl]-2,6-dimethylaniline

名称和标识

数据登录号

EC号

223-786-9

MDL号

MFCD00058680

CAS号

4073-98-7