(3S,6R)-3-Isopropyl-6-Methyl-Azepan-2-One
[CAS# 114048-88-3]

Identification

• Name: (3S,6R)-3-Isopropyl-6-Methyl-Azepan-2-One
• Synonyms: (3S,6R)-3-isopropyl-6-methylazepan-2-one
• Molecular Formula: C₁₀H₁₉NO
• Molecular Weight: 169.26
• CAS Registry Number: 114048-88-3
• SMILES: C[C@@H]1CC[C@@H](C(C)C)C(=O)NC1
• InChI: 1S/C10H19NO/c1-7(2)9-5-4-8(3)6-11-10(9)12/h7-9H,4-6H2,1-3H3,(H,11,12)/t8-,9+/m1/s1
• InChIKey: XTGVNDCCKLFHJY-BDAKNGLRSA-N

Properties

• Density: 0.896g/cm³ (Cal.)
• Boiling point: 295.486°C at 760 mmHg (Cal.)
• Flash point: 172.781°C (Cal.)
• Refractive index: 1.439 (Cal.)