3,5,8,10-Tetraazatricyclo[6.2.1.0^2,6]Undeca-1,3,6,9-Tetraene
[CAS# 478919-87-8]

Identification

• Name: 3,5,8,10-Tetraazatricyclo[6.2.1.0^2,6]Undeca-1,3,6,9-Tetraene
• Synonyms: 1H-4,7-methanoimidazo[4,5-e][1,3]diazepine
• Molecular Formula: C₇H₆N₄
• Molecular Weight: 146.15
• CAS Registry Number: 478919-87-8
• SMILES: c1[nH]c2=CN3CC(=c2n1)N=C3
• InChI: 1S/C7H6N4/c1-5-7(9-3-8-5)6-2-11(1)4-10-6/h1,3-4H,2H2,(H,8,9)
• InChIKey: AVYKKDJVUDNNAH-UHFFFAOYSA-N

Properties

• Density: 1.73g/cm³ (Cal.)
• Boiling point: 223.828°C at 760 mmHg (Cal.)
• Flash point: 89.168°C (Cal.)
• Refractive index: 1.932 (Cal.)