CAS 25602-68-0|Nortropinone hydrochloride|8-Azabicyclo[3.2.1]octan-3-one hydrochloride|8-azabicyclo[3.2.1]octan-3-one hydrochloride|8-azabicyclo[3.2.1]octan-3-one hydrochloride|8-Aza-3-oxobicyclo[3....

基本信息

化学结构

分子式

C₇H₁₂ClNO

分子量

161.62928

精确质量

161.06074169

电荷

InChI

InChI=1S/C7H11NO.ClH/c9-7-3-5-1-2-6(4-7)8-5;/h5-6,8H,1-4H2;1H

InChIKey

MZQWQFWRSDNBPV-UHFFFAOYSA-N

Canonic Smiles

O=C1CC2CCC(C1)N2.Cl

Isomeric Smiles

N1C2CC(=O)CC1CC2.Cl

计算属性

JChem

Acid pKa

18.096632

质子受体

质子供体

LogD (pH = 5.5)

-2.9155667

LogD (pH = 7.4)

-2.4433835

Log P

0.31541646

摩尔折射率

34.0502

极化性

13.764601

极化表面积

29.1

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

Nortropinone hydrochloride8-Azabicyclo[3.2.1]octan-3-one hydrochloride8-Aza-3-oxobicyclo[3.2.1]octane hydrochloride8-Azabicyclo[3,2,1]octan-3-one Hydrochloride3-Nortropanone HydrochlorideNortropinone HydrochlorideNortropanone HydrochlorideDesmethyltropinone Hydrochloride

IUPAC传统名

8-azabicyclo[3.2.1]octan-3-one hydrochloride

IUPAC标准名

8-azabicyclo[3.2.1]octan-3-one hydrochloride

名称和标识

数据登录号

CAS号

25602-68-0

MDL号

MFCD03613582

PubChem CID

13091218