1H-1,3-Diazepine
[CAS# 291-88-3]

Identification

• Name: 1H-1,3-Diazepine
• Synonyms: 1,3-diazepine
• Molecular Formula: C₅H₆N₂
• Molecular Weight: 94.11
• CAS Registry Number: 291-88-3
• SMILES: C1=CNC=NC=C1
• InChI: 1S/C5H6N2/c1-2-4-7-5-6-3-1/h1-5H,(H,6,7)
• InChIKey: JPPREFOETTUXDK-UHFFFAOYSA-N

Properties

• Density: 1.0±0.1g/cm³ (Cal.)
• Boiling point: 173.3±23.0°C at 760 mmHg (Cal.)
• Flash point: 58.6±22.6°C (Cal.)
• Refractive index: 1.536 (Cal.)

References

• (1): Ales Reisinger, Rainer Koch, Paul V. Bernhardt and Curt Wentrup. 1H-1,3-Diazepines, 5H-1,3-diazepines, 1,3-diazepinones, and 2,4-diazabicyclo[3.2.0]heptenes,, Org. Biomol. Chem., 2004, 2, 1227.