CAS 1477-68-5|4-Hydroxy-3-methoxyphenethylamine hydrochloride|methoxytyramine hydrochloride|4-(2-aminoethyl)-2-methoxyphenol hydrochloride|3-O-Methyldopamine hydrochloride|3-MT|3-METHOXYTYRAMINE HYD...

基本信息

化学结构

分子式

C₉H₁₄ClNO₂

分子量

203.66596

精确质量

203.07130637

电荷

InChI

InChI=1S/C9H13NO2.ClH/c1-12-9-6-7(4-5-10)2-3-8(9)11;/h2-3,6,11H,4-5,10H2,1H3;1H

InChIKey

AWRIOTVUTPLWLF-UHFFFAOYSA-N

Canonic Smiles

NCCc1ccc(c(c1)OC)O.Cl

Isomeric Smiles

Cl.c1c(c(cc(c1)CCN)OC)O

计算属性

JChem

Acid pKa

10.389796

质子受体

质子供体

LogD (pH = 5.5)

-2.082626

LogD (pH = 7.4)

-1.3664865

Log P

0.5270477

摩尔折射率

47.7305

极化性

18.579695

极化表面积

55.48

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-Hydroxy-3-methoxyphenethylamine hydrochloride3-O-Methyldopamine hydrochloride3-MT3-METHOXYTYRAMINE HYDROCHLORIDE4-(2-Aminoethyl)-2-methoxyphenol hydrochloride3-Methoxy-4-hydroxyphenethylamine hydrochloride3-Methoxytyramine hydrochloride4-(2-氨基乙基)-2-甲氧基苯酚盐酸盐3-甲氧基色胺盐酸盐3-甲氧基-4-羟基苯乙胺盐酸盐3-Methoxy-p-tyramine Hydrochloride4-(2-Aminoethyl)guaiacol Hydrochloride4-Hydroxy-3-methoxyphenethylamine Hydrochloride2-Methoxytyramine Hydrochloride4-Hydroxy-3-methoxy-β-phenethylamine Hydrochloride3-Methoxy-4-hydroxy-phenethylamine Hydrochloride4-(2-aminoethyl)-2-methoxyphenol hydrochloride

IUPAC传统名

methoxytyramine hydrochloride

IUPAC标准名

4-(2-aminoethyl)-2-methoxyphenol hydrochloride

名称和标识

数据登录号

MDL号

MFCD00012902

CAS号

1477-68-5

Beilstein号

3631283