1-(3,3,5-Trimethyl-1-azepanyl)ethanone
[CAS# 959078-87-6]

Identification

• Name: 1-(3,3,5-Trimethyl-1-azepanyl)ethanone
• Synonyms: 1-(3,3,5-trimethylazepan-1-yl)ethanone; 1-Acetyl-3,3,5-trimethylazepane #; 3,3,5-Trimethylhexahydroazepine, N-acetyl-
• Molecular Formula: C₁₁H₂₁NO
• Molecular Weight: 183.29
• CAS Registry Number: 959078-87-6
• SMILES: O=C(N1CCC(CC(C1)(C)C)C)C
• InChI: 1S/C11H21NO/c1-9-5-6-12(10(2)13)8-11(3,4)7-9/h9H,5-8H2,1-4H3
• InChIKey: YKJUWADGUPQXSM-UHFFFAOYSA-N

Properties

• Density: 0.894g/cm³ (Cal.)
• Boiling point: 272.935°C at 760 mmHg (Cal.)
• Flash point: 114.283°C (Cal.)
• Refractive index: 1.444 (Cal.)