Lofentanil
[CAS# 60645-00-3]

Identification

• Name: Lofentanil
• Synonyms: Methyl 3-Methyl-1-(2-Phenylethyl)-4-(Phenyl-Propanoyl-Amino)Piperidine-4-Carboxylate; 3-Methyl-4-(1-Oxopropyl-Phenylamino)-1-(2-Phenylethyl)-4-Piperidinecarboxylic Acid Methyl Ester; 3-Methyl-1-(2-Phenylethyl)-4-(Phenyl-Propionyl-Amino)Isonipecotic Acid Methyl Ester
• Molecular Formula: C₂₅H₃₂N₂O₃
• Molecular Weight: 408.54
• CAS Registry Number: 60645-00-3
• SMILES: C3=C(N(C2(C(CN(CCC1=CC=CC=C1)CC2)C)C(OC)=O)C(CC)=O)C=CC=C3
• InChI: 1S/C25H32N2O3/c1-4-23(28)27(22-13-9-6-10-14-22)25(24(29)30-3)16-18-26(19-20(25)2)17-15-21-11-7-5-8-12-21/h5-14,20H,4,15-19H2,1-3H3
• InChIKey: IMYHGORQCPYVBZ-UHFFFAOYSA-N

Properties

• Density: 1.118g/cm³ (Cal.)
• Boiling point: 514.377°C at 760 mmHg (Cal.)
• Flash point: 264.886°C (Cal.)