3-{3-[(4-Methyl-1-piperazinyl)methyl]benzoyl}benzonitrile
[CAS# 898788-44-8]

Identification

• Name: 3-{3-[(4-Methyl-1-piperazinyl)methyl]benzoyl}benzonitrile
• Synonyms: 3-cyano-3'-(4-methylpiperazinomethyl) benzophenone
• Molecular Formula: C₂₀H₂₁N₃O
• Molecular Weight: 319.40
• CAS Registry Number: 898788-44-8
• SMILES: N#Cc1cccc(c1)C(=O)c3cc(CN2CCN(C)CC2)ccc3
• InChI: 1S/C20H21N3O/c1-22-8-10-23(11-9-22)15-17-5-3-7-19(13-17)20(24)18-6-2-4-16(12-18)14-21/h2-7,12-13H,8-11,15H2,1H3
• InChIKey: MBBDEYSQGHUTQW-UHFFFAOYSA-N

Properties

• Density: 1.206g/cm³ (Cal.)
• Boiling point: 490.008°C at 760 mmHg (Cal.)
• Flash point: 250.148°C (Cal.)
• Refractive index: 1.63 (Cal.)