1H-Azepine
[CAS# 291-69-0]

Identification

• Name: 1H-Azepine
• Molecular Formula: C₆H₇N
• Molecular Weight: 93.13
• CAS Registry Number: 291-69-0
• SMILES: C1=CNC=CC=C1
• InChI: 1S/C6H7N/c1-2-4-6-7-5-3-1/h1-7H
• InChIKey: XYOVOXDWRFGKEX-UHFFFAOYSA-N

Properties

• Density: 0.93g/cm³ (Cal.)
• Boiling point: 199.462°C at 760 mmHg (Cal.)
• Flash point: 79.9°C (Cal.)

References

• (1): Aurora J. Cruz-Cabeza, Graeme M. Day and William Jones. Structure prediction, disorder and dynamics in a DMSO solvate of carbamazepine, Phys. Chem. Chem. Phys., 2011, 13, 12808.