4-((N-(alpha-Phenyl-2-piperidinobenzyl)carbamoyl)methyl)benzoic acid
[CAS# 83901-40-0]

Identification

• Name: 4-((N-(alpha-Phenyl-2-piperidinobenzyl)carbamoyl)methyl)benzoic acid
• Synonyms: 4-[2-Oxo-2-[[Phenyl-[2-(1-Piperidyl)Phenyl]Methyl]Amino]Ethyl]Benzoic Acid; 4-[2-Keto-2-[[Phenyl-(2-Piperidinophenyl)Methyl]Amino]Ethyl]Benzoic Acid; 4-((N-(Alpha-Phenyl-2-Piperidinobenzyl)Carbamoyl)Methyl)Benzoic Acid
• Molecular Formula: C₂₇H₂₈N₂O₃
• Molecular Weight: 428.53
• CAS Registry Number: 83901-40-0
• SMILES: C1=CC=CC(=C1C(NC(=O)CC2=CC=C(C=C2)C(=O)O)C3=CC=CC=C3)N4CCCCC4
• InChI: 1S/C27H28N2O3/c30-25(19-20-13-15-22(16-14-20)27(31)32)28-26(21-9-3-1-4-10-21)23-11-5-6-12-24(23)29-17-7-2-8-18-29/h1,3-6,9-16,26H,2,7-8,17-19H2,(H,28,30)(H,31,32)
• InChIKey: KLYSDWDGUUKBSX-UHFFFAOYSA-N

Properties

• Density: 1.21g/cm³ (Cal.)
• Boiling point: 702.233°C at 760 mmHg (Cal.)
• Flash point: 378.497°C (Cal.)