1H-1,4-Diazepine
[CAS# 292-03-5]

Identification

• Name: 1H-1,4-Diazepine
• Molecular Formula: C₅H₆N₂
• Molecular Weight: 94.11
• CAS Registry Number: 292-03-5
• SMILES: C1=CNC=CN=C1
• InChI: 1S/C5H6N2/c1-2-6-4-5-7-3-1/h1-6H
• InChIKey: POXWDTQUDZUOGP-UHFFFAOYSA-N

Properties

• Density: 1.0±0.1g/cm³ (Cal.)
• Boiling point: 178.9±40.0°C at 760 mmHg (Cal.)
• Flash point: 62.0±27.3°C (Cal.)
• Refractive index: 1.536 (Cal.)

References

• (1): Elisa M. Elemento, David Parker, Silvio Aime, Eliana Gianolio and Luciano Lattuada. Variation of water exchange dynamics with ligand structure and stereochemistry in lanthanide complexes based on 1,4-diazepine derivatives, Org. Biomol. Chem., 2009, 7, 1120.