CAS 66-83-1|5-methoxytryptamine hydrochloride|2-(5-methoxy-1H-indol-3-yl)ethan-1-amine hydrochloride|2-(5-Methoxy-1H-indol-3-yl)-ethanamine hydrochloride|2-(5-methoxy-1H-indol-3-yl)ethanamine hydroc...

基本信息

化学结构

分子式

C₁₁H₁₅ClN₂O

分子量

226.7026

精确质量

226.08729079

电荷

InChI

InChI=1S/C11H14N2O.ClH/c1-14-9-2-3-11-10(6-9)8(4-5-12)7-13-11;/h2-3,6-7,13H,4-5,12H2,1H3;1H

InChIKey

TXVAYRSEKRMEIF-UHFFFAOYSA-N

Canonic Smiles

NCCc1c[nH]c2c1cc(OC)cc2.Cl

Isomeric Smiles

C(Cc1c[nH]c2c1cc(cc2)OC)N.Cl

计算属性

JChem

Acid pKa

17.44662

质子受体

质子供体

LogD (pH = 5.5)

-1.6793671

LogD (pH = 7.4)

-0.9497424

Log P

1.3287662

摩尔折射率

56.8361

极化性

23.225039

极化表面积

51.04

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

IUPAC传统名

5-methoxytryptamine hydrochloride 5 methoxytryptamine hydrochloride

IUPAC标准名

2-(5-methoxy-1H-indol-3-yl)ethan-1-amine hydrochloride

别名

2-(5-Methoxy-1H-indol-3-yl)-ethanamine hydrochloride2-(5-methoxy-1H-indol-3-yl)ethanamine hydrochlorideO-Methylserotonin hydrochlorideMexamine hydrochloride5-甲氧基色胺盐酸盐3-(2-Aminoethyl)-5-methoxyindole hydrochloride5-甲氧色胺盐酸盐O-Methylserotonin hydrochlorideMexamine 盐酸盐3-(2-氨乙基)-5-甲氧基吲哚盐酸盐5-Methoxytryptamine hydrochloride5-METHOXYTRYPTAMINE5-Methoxytryptamine Hydrochloride

名称和标识

数据登录号

CAS号

66-83-1

PubChem SID

1620363352427856324883980

PubChem CID

6198

EC号

200-637-6

Beilstein号

3717598