1-Benzyl-4-(4-fluorophenyl)-3-pyrrolidinecarboxylic acid
[CAS# 874990-59-7]

Identification

• Name: 1-Benzyl-4-(4-fluorophenyl)-3-pyrrolidinecarboxylic acid
• Synonyms: (3S,4R)-1-benzyl-4-(4-fluorophenyl)pyrrolidine-3-carboxylic acid; 3-PYRROLIDINECARBOXYLICACID, 4-(4-FLUOROPHENYL)-1-(PHENYLMETHYL)-
• Molecular Formula: C₁₈H₁₈FNO₂
• Molecular Weight: 299.34
• CAS Registry Number: 874990-59-7
• SMILES: c1ccc(cc1)CN2CC(C(C2)C(=O)O)c3ccc(cc3)F
• InChI: 1S/C18H18FNO2/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: PBJFFDZRBFEUPB-UHFFFAOYSA-N

Properties

• Density: 1.254g/cm³ (Cal.)
• Boiling point: 447.267°C at 760 mmHg (Cal.)
• Flash point: 224.299°C (Cal.)
• Refractive index: 1.601 (Cal.)