1H-Pyrimido[4,5-d]Azepine
[CAS# 42394-36-5]

Identification

• Name: 1H-Pyrimido[4,5-d]Azepine
• Synonyms: 1H-Pyrimido[4,5-d]azepine
• Molecular Formula: C₈H₇N₃
• Molecular Weight: 145.16
• CAS Registry Number: 42394-36-5
• SMILES: C1=CN=CC=C2C1=CN=CN2
• InChI: 1S/C8H7N3/c1-3-9-4-2-8-7(1)5-10-6-11-8/h1-6H,(H,10,11)
• InChIKey: QKFOQFOLEOMQRT-UHFFFAOYSA-N

Properties

• Density: 1.227g/cm³ (Cal.)
• Boiling point: 298.838°C at 760 mmHg (Cal.)
• Flash point: 134.533°C (Cal.)