N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide

• ChemBase ID: 149882
• Molecular Formular: C11H22N2O
• Molecular Mass: 198.30518
• Monoisotopic Mass: 198.17321333
• SMILES: CC(=O)NC1CC(NC(C1)(C)C)(C)C
• Canonical SMILES: CC(=O)NC1CC(C)(C)NC(C1)(C)C
• InChI: InChI=1S/C11H22N2O/c1-8(14)12-9-6-10(2,3)13-11(4,5)7-9/h9,13H,6-7H2,1-5H3,(H,12,14)
• InChIKey: HVXYQAREJSKQNE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
• IUPAC Traditional name: N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
• Synonyms: N-(2,2,6,6-Tetramethyl-4-piperidinyl)acetamide; NSC 270075; 4-Acetamido-2,2,6,6-tetramethylpiperidine; 4-乙酰胺基-2,2,6,6-四甲基哌啶

Database IDs

• CAS Number: 40908-37-0
• EC Number: 255-137-0
• MDL Number: MFCD00043589
• PubChem SID: 24864371; 162244044
• PubChem CID: 100241

CALCULATED PROPERTIES

• Acid pKa: 16.332031
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.0008674
• LogD (pH = 7.4): -2.5644531
• Log P: 0.2314493
• Molar Refractivity: 57.633 cm^3
• Polarizability: 22.99533 Å^3
• Polar Surface Area: 41.13 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 102-104 °C(lit.)
• Boiling Point: 161-163 °C/7 mmHg(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 2
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• 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: 98%
• Empirical Formula (Hill Notation): C11H22N2O

DETAILS

Sigma Aldrich - 391298

Packaging
5, 25 g in glass bottle
Application
Reactant for synthesis of: Selenium and sulfur derivatives with antifungal activity1 Oxidants2 Alpha and beta-glycosides3Reactant for reaction of nitroxyl radicals with metal carbonyls4