CAS 165253-31-6|CAS 184950-35-4|oxolan-3-ylmethanamine hydrochloride|oxolan-3-ylmethanamine hydrochloride|(Tetrahydrofuran-3-yl)methanamine HCl|(Tetrahydrofuran-3-yl)methanamine hydrochloride|1-tetr...

基本信息

化学结构

分子式

C₅H₁₂ClNO

分子量

137.60788

精确质量

137.06074169

电荷

InChI

InChI=1S/C5H11NO.ClH/c6-3-5-1-2-7-4-5;/h5H,1-4,6H2;1H

InChIKey

LZHYUVOFRJAJKS-UHFFFAOYSA-N

Canonic Smiles

NCC1COCC1.Cl

Isomeric Smiles

O1CC(CN)CC1.Cl

计算属性

JChem

质子受体

质子供体

LogD (pH = 5.5)

-3.6294296

LogD (pH = 7.4)

-3.1749508

Log P

-0.60668397

摩尔折射率

28.5125

极化性

11.428371

极化表面积

35.25

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标准名

oxolan-3-ylmethanamine hydrochloride (oxolan-3-yl)methanamine hydrochloride

IUPAC传统名

oxolan-3-ylmethanamine hydrochloride

别名

(Tetrahydrofuran-3-yl)methanamine HCl(Tetrahydrofuran-3-yl)methanamine hydrochloride1-tetrahydrofuran-3-ylmethanamine hydrochloride(3-Tetrahydrofuranyl)methylamine hydrochloride(3-Tetrahydrofuranyl)methanamine hydrochloride3-(Aminomethyl)tetrahydrofuran hydrochloride

名称和标识

数据登录号

CAS号

165253-31-6184950-35-4

PubChem SID

162030326

MDL号

MFCD08448154

PubChem CID

17750392

数据登录号

化合物性质