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%|...

General Information

Structure

Molecular Formula

C₉H₁₈ClNO

Molecular Mass

191.69832

Exact Mass

191.10769188

Charge

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

Calculated Properties

JChem

Acid pKa

18.60688

H Acceptors

H Donor

LogD (pH = 5.5)

-1.6197476

LogD (pH = 7.4)

0.0537823

Log P

1.1843883

Molar Refractivity

45.2828

Polarizability

18.177366

Polar Surface Area

29.1

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC name

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

IUPAC Traditional name

triacetone amine hydrochloride

Synonyms

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

Names and Identifiers

Registration numbers

MDL Number

MFCD00012768

CAS Number

33973-59-0

EC Number

251-769-6

PubChem SID

2484723816207800724888969

Beilstein Number

4154554