2-Propyl-1-[[4-[2-(2H-Tetrazol-5-Yl)Phenyl]Phenyl]Methyl]-5,6,7,8-Tetrahydrocyclohepta[d]Imidazol-4-One
[CAS# 153804-05-8]

Identification

• Name: 2-Propyl-1-[[4-[2-(2H-Tetrazol-5-Yl)Phenyl]Phenyl]Methyl]-5,6,7,8-Tetrahydrocyclohepta[d]Imidazol-4-One
• Synonyms: 2-Propyl-1-[4-[2-(2H-Tetrazol-5-Yl)Phenyl]Benzyl]-5,6,7,8-Tetrahydrocyclohepta[D]Imidazol-4-One; 2-Propyl-1-[[4-[2-(2H-1,2,3,4-Tetrazol-5-Yl)Phenyl]Phenyl]Methyl]-5,6,7,8-Tetrahydrocyclohepta[D]Imidazol-4-One; Kd 3-671
• Molecular Formula: C₂₅H₂₆N₆O
• Molecular Weight: 426.52
• CAS Registry Number: 153804-05-8
• SMILES: C3=C(C[N]1C2=C(N=C1CCC)C(=O)CCCC2)C=CC(=C3)C4=CC=CC=C4C5=N[NH]N=N5
• InChI: 1S/C25H26N6O/c1-2-7-23-26-24-21(10-5-6-11-22(24)32)31(23)16-17-12-14-18(15-13-17)19-8-3-4-9-20(19)25-27-29-30-28-25/h3-4,8-9,12-15H,2,5-7,10-11,16H2,1H3,(H,27,28,29,30)
• InChIKey: YLJPYJVXSXCNFP-UHFFFAOYSA-N

Properties

• Density: 1.321g/cm³ (Cal.)
• Boiling point: 692.92°C at 760 mmHg (Cal.)
• Flash point: 372.864°C (Cal.)