1H-Pyrimido[4,5-e][1,4]Diazepine
[CAS# 42394-45-6]

Identification

• Name: 1H-Pyrimido[4,5-e][1,4]Diazepine
• Synonyms: 1H-Pyrimido[4,5-e][1,4]diazepine
• Molecular Formula: C₇H₆N₄
• Molecular Weight: 146.15
• CAS Registry Number: 42394-45-6
• SMILES: C1=CN=C2C(=CN=CN2)C=N1
• InChI: 1S/C7H6N4/c1-2-10-7-6(3-8-1)4-9-5-11-7/h1-5H,(H,9,10,11)
• InChIKey: UFUOHTTUDYJXIK-UHFFFAOYSA-N

Properties

• Density: 1.367g/cm³ (Cal.)
• Boiling point: 277.551°C at 760 mmHg (Cal.)
• Flash point: 121.659°C (Cal.)