2-Phenyl-1,5,7-Triazabicyclo[4.3.0]Non-6-En-4-One
[CAS# 65658-65-3]

Identification

• Name: 2-Phenyl-1,5,7-Triazabicyclo[4.3.0]Non-6-En-4-One
• Synonyms: Imidazo(1,2-A)Pyrimidin-7(1H)-One, 2,3,5,6-Tetrahydro-5-Phenyl-
• Molecular Formula: C₁₂H₁₃N₃O
• Molecular Weight: 215.25
• CAS Registry Number: 65658-65-3
• SMILES: C3=C(C2N1CCN=C1NC(=O)C2)C=CC=C3
• InChI: 1S/C12H13N3O/c16-11-8-10(9-4-2-1-3-5-9)15-7-6-13-12(15)14-11/h1-5,10H,6-8H2,(H,13,14,16)
• InChIKey: KPSFYXOSUAEJNM-UHFFFAOYSA-N

Properties

• Density: 1.365g/cm³ (Cal.)
• Boiling point: 362.2°C at 760 mmHg (Cal.)
• Flash point: 172.9°C (Cal.)