CAS 934-98-5|2-(4-methylpiperazin-1-yl)ethanamine|2-(4-Methyl-piperazin-1-yl)-ethylamine|2-(4-methylpiperazin-1-yl)ethan-1-amine|2-(4-methylpiperazin-1-yl)ethanamine|[2-(4-methylpiperazin-1-yl)ethyl...

基本信息

化学结构

分子式

C₇H₁₇N₃

分子量

143.22998

精确质量

143.14224756

电荷

InChI

InChI=1S/C7H17N3/c1-9-4-6-10(3-2-8)7-5-9/h2-8H2,1H3

InChIKey

GOWUDHPKGOIDIX-UHFFFAOYSA-N

Canonic Smiles

NCCN1CCN(CC1)C

Isomeric Smiles

N1(CCN(CC1)CCN)C

计算属性

JChem

LogD (pH = 7.4)

-3.23

LogD (pH = 5.5)

-5.99

Log P

-0.76

可自由旋转的化学键

质子供体

质子受体

里宾斯基五规则

true

Acid pKa

9.39

极化表面积

32.50

极化性

17.25

摩尔折射率

43.99

LOG S

1.31

数据来源

名称和标识

IUPAC传统名

2-(4-methylpiperazin-1-yl)ethanamine

别名

2-(4-Methyl-piperazin-1-yl)-ethylamine2-(4-methylpiperazin-1-yl)ethanamine[2-(4-methylpiperazin-1-yl)ethyl]amine trihydrochloride1-Amino-2-(4-methylpiperazin-1-yl)ethane2-(4-Methylpiperazin-1-yl)ethylamine1-(2-Aminoethyl)-4-methylpiperazine1-(2-Aminoethyl)-4-methylpiperazine2-(4-Methyl-1-piperazinyl)ethylamine1-(2-氨乙基)-4-甲基哌嗪2-(4-methyl-1-piperazinyl)ethanamine4-methylpiperazine-1-ethylamine

IUPAC标准名

2-(4-methylpiperazin-1-yl)ethan-1-amine

名称和标识

数据登录号

PubChem CID

CAS号

PubChem SID

MDL号