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

• ChemBase ID: 91303
• Molecular Formular: C9H18ClNO
• Molecular Mass: 191.69832
• Monoisotopic Mass: 191.10769188
• 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

NAMES AND DATABASE IDS

Names

• 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

Database IDs

• CAS Number: 33973-59-0
• EC Number: 251-769-6
• MDL Number: MFCD00012768
• Beilstein Number: 4154554
• PubChem SID: 162078007; 24888969; 24847238
• PubChem CID: 94452

CALCULATED PROPERTIES

• Acid pKa: 18.60688
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.6197476
• LogD (pH = 7.4): 0.0537823
• Log P: 1.1843883
• Molar Refractivity: 45.2828 cm^3
• Polarizability: 18.177366 Å^3
• Polar Surface Area: 29.1 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Powder
• Melting Point: 184-187°C; 198 °C (dec.)(lit.)

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• Storage Warning: Irritant
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38; R:36/37/38
• Safety Statements: 26-36; S:20-25-26-37/39
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ≥97.0% (AT); 95+%; 97%; 98%
• Grade: purum
• Impurities: ≤3% water
• Empirical Formula (Hill Notation): C9H17NO · HCl

DETAILS

MP Biomedicals - 02156823

Hydrochloride

Sigma Aldrich - 115762

Packaging
25 g in poly bottle