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33973-59-0 molecular structure
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2,2,6,6-tetramethylpiperidin-4-one hydrochloride

ChemBase ID: 91303
Molecular Formular: C9H18ClNO
Molecular Mass: 191.69832
Monoisotopic Mass: 191.10769188
SMILES and InChIs

SMILES:
N1C(CC(=O)CC1(C)C)(C)C.Cl
Canonical SMILES:
O=C1CC(C)(C)NC(C1)(C)C.Cl
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

Cite this record

CBID:91303 http://www.chembase.cn/molecule-91303.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,2,6,6-tetramethylpiperidin-4-one hydrochloride
IUPAC Traditional name
triacetone amine hydrochloride
Synonyms
4-Oxo-2,2,6,6-tetramethylpiperidine hydrochloride
2,2,6,6-Tetramethylpiperidin-4-one hydrochloride 97%
2,2,6,6-Tetramethyl-4-piperidone hydrochloride
2,2,6,6-Tetramethylpiperidin-4-one hydrochloride
2,2,6,6-Tetramethyl-4-piperidinone hydrochloride
Triacetonamine hydrochloride
2,2,6,6-TETRAMETHYL-4-PIPERIDONE HYDROCHLORIDE
2,2,6,6-四甲基-4-哌啶酮 盐酸盐
CAS Number
33973-59-0
EC Number
251-769-6
MDL Number
MFCD00012768
Beilstein Number
4154554
PubChem SID
24847238
162078007
24888969
PubChem CID
94452

CALCULATED PROPERTIES

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 cm3 Polarizability 18.177366 Å3
Polar Surface Area 29.1 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Apperance
Powder expand Show data source
Melting Point
184-187°C expand Show data source
198 °C (dec.)(lit.) expand Show data source
Storage Condition
Room Temperature (15-30°C) expand Show data source
Storage Warning
Irritant expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
36/37/38 expand Show data source
R:36/37/38 expand Show data source
Safety Statements
26-36 expand Show data source
S:20-25-26-37/39 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Purity
≥97.0% (AT) expand Show data source
95+% expand Show data source
97% expand Show data source
98% expand Show data source
Grade
purum expand Show data source
Certificate of Analysis
Download expand Show data source
Impurities
≤3% water expand Show data source
Empirical Formula (Hill Notation)
C9H17NO · HCl expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 02156823 external link
Hydrochloride
Sigma Aldrich - 115762 external link
Packaging
25 g in poly bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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