(4-Chlorophenyl){4-[(3R,4R)-4-hydroxy-3-pyrrolidinyl]-1-piperazinyl}methanone
[CAS# 897651-93-3]

Identification

• Name: (4-Chlorophenyl){4-[(3R,4R)-4-hydroxy-3-pyrrolidinyl]-1-piperazinyl}methanone
• Synonyms: (4-Chloro-phenyl)-[4-((3R,4R)-4-hydroxy-pyrrolidin-3-yl)-piperazin-1-yl]-methanone; Piperazine, 1-(4-chlorobenzoyl)-4-[(3R,4R)-4-hydroxy-3-pyrrolidinyl]-, rel-
• Molecular Formula: C₁₅H₂₀ClN₃O₂
• Molecular Weight: 309.79
• CAS Registry Number: 897651-93-3
• SMILES: C1CN(CCN1[C@@H]2CNC[C@H]2O)C(=O)C3=CC=C(C=C3)Cl
• InChI: 1S/C15H20ClN3O2/c16-12-3-1-11(2-4-12)15(21)19-7-5-18(6-8-19)13-9-17-10-14(13)20/h1-4,13-14,17,20H,5-10H2/t13-,14-/m1/s1
• InChIKey: GXXHXIGBXVXHRZ-ZIAGYGMSSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Boiling point: 512.7±50.0°C at 760 mmHg (Cal.)
• Flash point: 263.9±30.1°C (Cal.)
• Refractive index: 1.617 (Cal.)