CAS 138-24-9|PHENYLTRIMETHYLAMMONIUM CHLORIDE|N,N,N-trimethylanilinium chloride|N,N,N-trimethylanilinium chloride|N,N,N-Trimethylbenzenaminium chloride|苯基三甲基氯化铵|三甲基苯基氯化铵|tetrabutylam...

基本信息

化学结构

分子式

C₉H₁₄ClN

分子量

171.66716

精确质量

171.08147713

电荷

InChI

InChI=1S/C9H14N.ClH/c1-10(2,3)9-7-5-4-6-8-9;/h4-8H,1-3H3;1H/q+1;/p-1

InChIKey

MQAYPFVXSPHGJM-UHFFFAOYSA-M

Canonic Smiles

C[N+](c1ccccc1)(C)C.[Cl-]

Isomeric Smiles

c1(ccccc1)[N+](C)(C)C.[Cl-]

计算属性

JChem

质子受体

质子供体

LogD (pH = 5.5)

-1.96705

LogD (pH = 7.4)

-1.96705

Log P

-1.96705

摩尔折射率

55.6793

极化性

17.334887

极化表面积

0.0

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

PHENYLTRIMETHYLAMMONIUM CHLORIDEN,N,N-Trimethylbenzenaminium chloride苯基三甲基氯化铵三甲基苯基氯化铵Trimethylphenylammonium chloridePhenyltrimethylammonium chlorideTrimethylphenylammonium chlorideN,N,N-Trimethylanilinium chloridePhenyltrimethylammonium chloride

IUPAC标准名

N,N,N-trimethylanilinium chloride

IUPAC传统名

N,N,N-trimethylanilinium chloride tetrabutylammonium tribromide chloride

名称和标识

数据登录号

PubChem CID

67309

PubChem SID

16203612624851895

CAS号

138-24-9