CAS 1501-84-4|CAS 13392-28-4|[1-(1-Adamantyl)ethyl]amine hydrochloride|rimantadine hydrochloride|1-(adamantan-1-yl)ethan-1-amine hydrochloride|Rimantadine hydrochloride|1-(1-Aminoethyl)adamantane hy...

基本信息

化学结构

分子式

C₁₂H₂₂ClN

分子量

215.76278

精确质量

215.14407739

电荷

InChI

InChI=1S/C12H21N.ClH/c1-8(13)12-5-9-2-10(6-12)4-11(3-9)7-12;/h8-11H,2-7,13H2,1H3;1H

InChIKey

OZBDFBJXRJWNAV-UHFFFAOYSA-N

Canonic Smiles

CC(C12CC3CC(C2)CC(C1)C3)N.Cl

Isomeric Smiles

C1C2CC3(CC1CC(C2)C3)C(C)N.Cl

计算属性

JChem

质子受体

质子供体

LogD (pH = 5.5)

-0.8055685

LogD (pH = 7.4)

-0.34652156

Log P

2.2170057

摩尔折射率

54.5221

极化性

22.19729

极化表面积

26.02

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

rimantadine hydrochloride

别名

[1-(1-Adamantyl)ethyl]amine hydrochlorideRimantadine hydrochloride1-(1-adamantyl)ethylamine hydrochloride1-(1-Aminoethyl)adamantane hydrochloride1-(Adamantan-1-yl)ethylamine hydrochloride1-(1-adamantyl)ethanamine hydrochlorideRimantadine HydrochlorideMeradaneRoflualFlumadine1-((3r,5r,7r)-adamantan-1-yl)ethanamine hydrochlorideα-Methyltricyclo[3.3.1.13,7]decane-1-methanamine Hydrochloride

IUPAC标准名

1-(adamantan-1-yl)ethan-1-amine hydrochloride

名称和标识

数据登录号

PubChem SID

CAS号

PubChem CID

MDL号