CAS 33973-59-0|2,2,6,6-tetramethylpiperidin-4-one hydrochloride|triacetone amine hydrochloride|4-Oxo-2,2,6,6-tetramethylpiperidine hydrochloride|2,2,6,6-Tetramethylpiperidin-4-one hydrochloride 97%|...

基本信息

化学结构

分子式

C₉H₁₈ClNO

分子量

191.69832

精确质量

191.10769188

电荷

InChI

InChI=1S/C9H17NO.ClH/c1-8(2)5-7(11)6-9(3,4)10-8;/h10H,5-6H2,1-4H3;1H

InChIKey

ZXNWYMNKYXUZGM-UHFFFAOYSA-N

Canonic Smiles

O=C1CC(C)(C)NC(C1)(C)C.Cl

Isomeric Smiles

N1C(CC(=O)CC1(C)C)(C)C.Cl

计算属性

JChem

Acid pKa

18.60688

质子受体

质子供体

LogD (pH = 5.5)

-1.6197476

LogD (pH = 7.4)

0.0537823

Log P

1.1843883

摩尔折射率

45.2828

极化性

18.177366

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

IUPAC标准名

2,2,6,6-tetramethylpiperidin-4-one hydrochloride

IUPAC传统名

triacetone amine hydrochloride

别名

4-Oxo-2,2,6,6-tetramethylpiperidine hydrochloride2,2,6,6-Tetramethylpiperidin-4-one hydrochloride 97%2,2,6,6-TETRAMETHYL-4-PIPERIDONE HYDROCHLORIDE2,2,6,6-Tetramethyl-4-piperidone hydrochloride2,2,6,6-四甲基-4-哌啶酮盐酸盐2,2,6,6-Tetramethylpiperidin-4-one hydrochloride2,2,6,6-Tetramethyl-4-piperidinone hydrochlorideTriacetonamine hydrochloride

名称和标识

数据登录号

MDL号

MFCD00012768

CAS号

33973-59-0

EC号

251-769-6

PubChem SID

2484723816207800724888969

Beilstein号

4154554