Bentipimine
[CAS# 17692-23-8]

Identification

• Name: Bentipimine
• Synonyms: 1-[2-[(2-Chlorophenyl)-Phenyl-Methyl]Sulfanylethyl]-4-[(2-Methylphenyl)Methyl]Piperazine; 1-[2-[[(2-Chlorophenyl)-Phenylmethyl]Thio]Ethyl]-4-[(2-Methylphenyl)Methyl]Piperazine; 1-[2-[[(2-Chlorophenyl)-Phenyl-Methyl]Thio]Ethyl]-4-(2-Methylbenzyl)Piperazine
• Molecular Formula: C₂₇H₃₁ClN₂S
• Molecular Weight: 451.07
• CAS Registry Number: 17692-23-8
• SMILES: C1=CC=CC(=C1C(C2=CC=CC=C2)SCCN4CCN(CC3=CC=CC=C3C)CC4)Cl
• InChI: 1S/C27H31ClN2S/c1-22-9-5-6-12-24(22)21-30-17-15-29(16-18-30)19-20-31-27(23-10-3-2-4-11-23)25-13-7-8-14-26(25)28/h2-14,27H,15-21H2,1H3
• InChIKey: KIPJSVIZACGFEX-UHFFFAOYSA-N

Properties

• Density: 1.163g/cm³ (Cal.)
• Boiling point: 565.013°C at 760 mmHg (Cal.)
• Flash point: 295.509°C (Cal.)