2-{3-[(4-Methyl-1-piperazinyl)methyl]benzoyl}benzonitrile
[CAS# 898788-42-6]

Identification

• Name: 2-{3-[(4-Methyl-1-piperazinyl)methyl]benzoyl}benzonitrile
• Synonyms: 2-cyano-3'-(4-methylpiperazinomethyl) benzophenone
• Molecular Formula: C₂₀H₂₁N₃O
• Molecular Weight: 319.40
• CAS Registry Number: 898788-42-6
• SMILES: N#Cc1ccccc1C(=O)c3cc(CN2CCN(C)CC2)ccc3
• InChI: 1S/C20H21N3O/c1-22-9-11-23(12-10-22)15-16-5-4-7-17(13-16)20(24)19-8-3-2-6-18(19)14-21/h2-8,13H,9-12,15H2,1H3
• InChIKey: IRLBLYGBKLYCEC-UHFFFAOYSA-N

Properties

• Density: 1.206g/cm³ (Cal.)
• Boiling point: 511.977°C at 760 mmHg (Cal.)
• Flash point: 263.435°C (Cal.)
• Refractive index: 1.63 (Cal.)