alpha-(2-(4-Chlorophenyl)-2-Oxoethyl)-1-Piperidineacetic Acid Hydrate (2:1)
[CAS# 70596-75-7]

Identification

• Name: alpha-(2-(4-Chlorophenyl)-2-Oxoethyl)-1-Piperidineacetic Acid Hydrate (2:1)
• Synonyms: 4-(4-Chlorophenyl)-4-Oxo-2-(1-Piperidyl)Butanoic Acid; 4-(4-Chlorophenyl)-4-Keto-2-Piperidino-Butyric Acid; 4-(4-Chlorophenyl)-4-Oxo-2-Piperidin-1-Yl-Butanoic Acid
• Molecular Formula: C₁₅H₁₈ClNO₃
• Molecular Weight: 295.77
• CAS Registry Number: 70596-75-7
• SMILES: C2=C(C(CC(N1CCCCC1)C(O)=O)=O)C=CC(=C2)Cl
• InChI: 1S/C15H18ClNO3/c16-12-6-4-11(5-7-12)14(18)10-13(15(19)20)17-8-2-1-3-9-17/h4-7,13H,1-3,8-10H2,(H,19,20)
• InChIKey: CCDYCKJOZAVZTN-UHFFFAOYSA-N

Properties

• Density: 1.274g/cm³ (Cal.)
• Boiling point: 489.611°C at 760 mmHg (Cal.)
• Flash point: 249.908°C (Cal.)