[1-Phenyl-3-[4-(Phenylmethyl)Piperazin-1-Yl]Propyl] Benzoate
[CAS# 149848-07-7]

Identification

• Name: [1-Phenyl-3-[4-(Phenylmethyl)Piperazin-1-Yl]Propyl] Benzoate
• Synonyms: Benzoic Acid [1-Phenyl-3-[4-(Phenylmethyl)-1-Piperazinyl]Propyl] Ester; Benzoic Acid [3-[4-(Benzyl)Piperazin-1-Yl]-1-Phenyl-Propyl] Ester; 1-Piperazinepropanol, Alpha-Phenyl-4-(Phenylmethyl)-, Benzoate (Ester)
• Molecular Formula: C₂₇H₃₀N₂O₂
• Molecular Weight: 414.55
• CAS Registry Number: 149848-07-7
• SMILES: C4=C(C(OC(=O)C1=CC=CC=C1)CCN2CCN(CC2)CC3=CC=CC=C3)C=CC=C4
• InChI: 1S/C27H30N2O2/c30-27(25-14-8-3-9-15-25)31-26(24-12-6-2-7-13-24)16-17-28-18-20-29(21-19-28)22-23-10-4-1-5-11-23/h1-15,26H,16-22H2
• InChIKey: BXIQIYAUMJYCLS-UHFFFAOYSA-N

Properties

• Density: 1.137g/cm³ (Cal.)
• Boiling point: 553.686°C at 760 mmHg (Cal.)
• Flash point: 288.659°C (Cal.)