CAS 71486-53-8|Methyl 4-oxo-3-piperidinecarboxylate hydrochloride|methyl 4-oxopiperidine-3-carboxylate hydrochloride|methyl 4-oxopiperidine-3-carboxylate hydrochloride|Methyl 4-oxopiperidine-3-carbo...

基本信息

化学结构

分子式

C₇H₁₂ClNO₃

分子量

193.62808

精确质量

193.05057093

电荷

InChI

InChI=1S/C7H11NO3.ClH/c1-11-7(10)5-4-8-3-2-6(5)9;/h5,8H,2-4H2,1H3;1H

InChIKey

NMAACQILAGCQPR-UHFFFAOYSA-N

Canonic Smiles

COC(=O)C1CNCCC1=O.Cl

Isomeric Smiles

N1CC(C(=O)CC1)C(=O)OC.Cl

计算属性

JChem

Acid pKa

10.545738

质子受体

质子供体

LogD (pH = 5.5)

-1.6759211

LogD (pH = 7.4)

-0.3249138

Log P

-0.32934222

摩尔折射率

38.2296

极化性

15.320761

极化表面积

55.4

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

Methyl 4-oxo-3-piperidinecarboxylate hydrochlorideMethyl 4-oxopiperidine-3-carboxylate hydrochloride3-(Methoxycarbonyl)piperidin-4-one hydrochlorideMethyl 4-oxo-3-piperidinecarboxylate hydrochloride3-Methoxycarbonyl-4-piperidone hydrochloride4-氧代-3-哌啶羧酸甲酯盐酸盐3-甲氧羰基-4-哌啶酮盐酸盐4-氧代哌啶-3-羰酸甲酯盐酸盐Methyl 4-oxopiperidine-3-carboxylate hydrochloride4-Oxopiperidine-3-carboxylic acid methyl ester hydrochloride

IUPAC传统名

methyl 4-oxopiperidine-3-carboxylate hydrochloride

IUPAC标准名

methyl 4-oxopiperidine-3-carboxylate hydrochloride

名称和标识

数据登录号

CAS号

71486-53-8

EC号

275-526-9

Beilstein号

4273241