CAS 120-29-6|CAS 135-97-7|tropine|TROPINE|α-Tropine|Tropanol|8-methyl-8-azabicyclo[3.2.1]octan-3-ol|8-Methyl-8-azabicyclo[3.2.1]octan-3-ol|endo-8-Methyl-8-azabicyclo[3.2.1]-octan-3-ol|3-Tropanol|en...

基本信息

化学结构

分子式

C₈H₁₅NO

分子量

141.2108

精确质量

141.11536411

电荷

InChI

InChI=1S/C8H15NO/c1-9-6-2-3-7(9)5-8(10)4-6/h6-8,10H,2-5H2,1H3

InChIKey

CYHOMWAPJJPNMW-UHFFFAOYSA-N

Canonic Smiles

OC1CC2CCC(C1)N2C

Isomeric Smiles

N1(C2CC(CC1CC2)O)C

计算属性

JChem

Acid pKa

15.160811

质子受体

质子供体

LogD (pH = 5.5)

-3.3879304

LogD (pH = 7.4)

-2.2382734

Log P

0.033560663

摩尔折射率

40.5938

极化性

16.15159

极化表面积

23.47

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

tropine tropin

别名

α-TropineTROPINETropanol8-Methyl-8-azabicyclo[3.2.1]octan-3-olendo-8-Methyl-8-azabicyclo[3.2.1]-octan-3-ol3-TropanolTropine品托碱endo-8-Methyl-8-azabicyclo[3.2.1]octan-3-olN-Methyl-8-azabicyclo[3.2.1]octan-3-olendo-Tropanol2,3-Dihydro-3α-hydroxy-8-methylnortropidine3-exo-8-Methyl-8-azabicyclo[3.2.1]octan-3-ol2,3-Dihydro-3α-hydroxytropidine(1R,3r,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol(3-endo)-8-Methyl-8-azabicyclo[3.2.1]octan-3-ol

IUPAC标准名

8-methyl-8-azabicyclo[3.2.1]octan-3-ol

名称和标识

数据登录号

CAS号

维基百科标题

美国药典/FDA物质标识码

PubChem CID