1-Isopropyl-1,2-Dihydro-3H-Azepin-3-One
[CAS# 110561-71-2]

Identification

• Name: 1-Isopropyl-1,2-Dihydro-3H-Azepin-3-One
• Synonyms: 1-isopropyl-1H-azepin-3(2H)-one
• Molecular Formula: C₉H₁₃NO
• Molecular Weight: 151.21
• CAS Registry Number: 110561-71-2
• SMILES: CC(C)N1CC(=O)C=CC=C1
• InChI: 1S/C9H13NO/c1-8(2)10-6-4-3-5-9(11)7-10/h3-6,8H,7H2,1-2H3
• InChIKey: ZPGQADPDUKRMKR-UHFFFAOYSA-N

Properties

• Density: 1.005g/cm³ (Cal.)
• Boiling point: 243.324°C at 760 mmHg (Cal.)
• Flash point: 87.027°C (Cal.)
• Refractive index: 1.503 (Cal.)