CAS 101-77-9|4,4'-diaminodiphenylmethane|4-[(4-aminophenyl)methyl]aniline|4,4'-methylenedianiline|4,4'-Diaminodiphenylmethane|MDA|4,4'-Methylenebisbenzenamine|4,4′-Methylenedianiline|4,4′-Diaminod...

基本信息

化学结构

分子式

C₁₃H₁₄N₂

分子量

198.26366

精确质量

198.11569846

电荷

0

InChI

InChI=1S/C13H14N2/c14-12-5-1-10(2-6-12)9-11-3-7-13(15)8-4-11/h1-8H,9,14-15H2

InChIKey

YBRVSVVVWCFQMG-UHFFFAOYSA-N

Canonic Smiles

Nc1ccc(cc1)Cc1ccc(cc1)N

Isomeric Smiles

c1(N)ccc(Cc2ccc(N)cc2)cc1

计算属性

JChem

LogD (pH = 7.4)

2.41

LogD (pH = 5.5)

2.32

Log P

2.41

可自由旋转的化学键

2

质子供体

2

质子受体

2

里宾斯基五规则

true

Acid pKa

4.83

极化表面积

52.04

极化性

22.55

摩尔折射率

65.20

LOG S

-3.03

数据来源

学术数据

Wikipedia

4,4'-Methylenedianiline

产品目录

数据来源

名称和标识

IUPAC传统名

4,4'-diaminodiphenylmethane

IUPAC标准名

4-[(4-aminophenyl)methyl]aniline

别名

4,4'-methylenedianiline4,4'-DiaminodiphenylmethaneMDA4,4'-Methylenebisbenzenamine4,4′-Methylenedianiline4,4′-Diaminodiphenylmethane4,4′-Diaminodiphenylmethane4,4′-二氨基二苯甲烷4,4′-亚甲基双苯胺4,4′-二氨基二苯甲烷4,4′-亚甲基双苯胺4,4′-Methylenedianiline4,4'-Diaminodiphenylmethane4,4-Methylenedianiline4,4'-二氨基二苯甲烷4,4'-Methylenedianiline4,4'-Diaminodiphenylmethane4,4'-diaminodiphenylmethane4,4'-Methylenebis(benzeneamine)4-(4-aminobenzyl)anilinedi-(p-aminophenyl)methane4,4'-methylenedianilineBis(4-aminophenyl)methaneDianilinomethanedi-(4-aminophenyl)methane4,4'-Diphenylmethanediaminep,p'-Methylenedianilinebis-p-aminophenylmethanep,p'-DiaminodiphenylmethaneDDMBis(p-aminophenyl)methanealpha-(p-aminophenyl)-p-toluidineDAPMDADPM

名称和标识

数据登录号

Beilstein号

474706

CAS号

101-77-9

PubChem SID

24859795248697701622147028147706

MDL号

MFCD00007914

EC号

202-974-4