CAS 110-68-9|N-METHYL-n-BUTYLAMINE|butyl(methyl)amine|methylbutylamine|N-丁基甲胺|N-Butylmethylamine|N-甲基丁胺|N-Methylbutylamine|N-Methyl-1-butylamine|N-n-Butylmethylamine|N-1-丁基胺|N-Methyl-n-bu...

基本信息

化学结构

分子式

C₅H₁₃N

分子量

87.16342

精确质量

87.10479942

电荷

InChI

InChI=1S/C5H13N/c1-3-4-5-6-2/h6H,3-5H2,1-2H3

InChIKey

QCOGKXLOEWLIDC-UHFFFAOYSA-N

Canonic Smiles

CCCCNC

Isomeric Smiles

CCCCNC

计算属性

JChem

LogD (pH = 7.4)

-1.76

LogD (pH = 5.5)

-2.10

Log P

1.13

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

10.55

极化表面积

12.03

极化性

11.73

摩尔折射率

28.57

LOG S

-0.17

数据来源

名称和标识

别名

N-METHYL-n-BUTYLAMINEN-丁基甲胺N-ButylmethylamineN-甲基丁胺N-MethylbutylamineN-Methyl-1-butylamineN-n-ButylmethylamineN-1-丁基胺N-Methyl-n-butylamineN-Methyl butylamineN-methylbutylamineN-ButylmethylamineMethyl-N-butylamineN-(Methyl) butyl amineMethylbutylamineN-methyl-1-butanamineButylmethylamineN-MethylbutanamineN-Methyl-N-butylamineN-Butyl-N-methylamine

IUPAC标准名

butyl(methyl)amine

IUPAC传统名

methylbutylamine

名称和标识

数据登录号

EC号

203-791-2

PubChem CID

8068

PubChem SID

1620958162484997092741941