1-Benzyl-4-(4-bromophenyl)-3-pyrrolidinecarboxylic acid
[CAS# 885959-06-8]

Identification

• Name: 1-Benzyl-4-(4-bromophenyl)-3-pyrrolidinecarboxylic acid
• Synonyms: 1-Benzyl-4-(4-bromo-phenyl)-pyrrolidine-3-carboxylic acid; 3-PYRROLIDINECARBOXYLICACID, 4-(4-BROMOPHENYL)-1-(PHENYLMETHYL)-
• Molecular Formula: C₁₈H₁₈BrNO₂
• Molecular Weight: 360.24
• CAS Registry Number: 885959-06-8
• SMILES: Brc1ccc(cc1)C3C(C(=O)O)CN(Cc2ccccc2)C3
• InChI: 1S/C18H18BrNO2/c19-15-8-6-14(7-9-15)16-11-20(12-17(16)18(21)22)10-13-4-2-1-3-5-13/h1-9,16-17H,10-12H2,(H,21,22)
• InChIKey: PPNBMQUTFASJPB-UHFFFAOYSA-N

Properties

• Density: 1.437g/cm³ (Cal.)
• Boiling point: 486.005°C at 760 mmHg (Cal.)
• Flash point: 247.727°C (Cal.)
• Refractive index: 1.632 (Cal.)