3-{4-[(4-Methyl-1-piperazinyl)methyl]benzoyl}benzonitrile
[CAS# 898783-50-1]

Identification

• Name: 3-{4-[(4-Methyl-1-piperazinyl)methyl]benzoyl}benzonitrile
• Synonyms: 3-cyano-4'-(4-methylpiperazinomethyl) benzophenone
• Molecular Formula: C₂₀H₂₁N₃O
• Molecular Weight: 319.40
• CAS Registry Number: 898783-50-1
• SMILES: N#Cc1cccc(c1)C(=O)c2ccc(cc2)CN3CCN(C)CC3
• InChI: 1S/C20H21N3O/c1-22-9-11-23(12-10-22)15-16-5-7-18(8-6-16)20(24)19-4-2-3-17(13-19)14-21/h2-8,13H,9-12,15H2,1H3
• InChIKey: YHFQOTBKKYQIRV-UHFFFAOYSA-N

Properties

• Density: 1.206g/cm³ (Cal.)
• Boiling point: 484.608°C at 760 mmHg (Cal.)
• Flash point: 246.882°C (Cal.)
• Refractive index: 1.63 (Cal.)