1-Benzyl-4-(4-nitrophenyl)-3-pyrrolidinecarboxylic acid
[CAS# 885958-95-2]

Identification

• Name: 1-Benzyl-4-(4-nitrophenyl)-3-pyrrolidinecarboxylic acid
• Synonyms: 1-BENZYL-4-(4-NITRO-PHENYL)-PYRROLIDINE-3-CARBOXYLIC ACID; Trans-1-benzyl-4-(4-nitrophenyl)pyrrolidine-3-carboxylic acid
• Molecular Formula: C₁₈H₁₈N₂O₄
• Molecular Weight: 326.35
• CAS Registry Number: 885958-95-2
• SMILES: [O-][N+](=O)c1ccc(cc1)C3C(C(=O)O)CN(Cc2ccccc2)C3
• InChI: 1S/C18H18N2O4/c21-18(22)17-12-19(10-13-4-2-1-3-5-13)11-16(17)14-6-8-15(9-7-14)20(23)24/h1-9,16-17H,10-12H2,(H,21,22)
• InChIKey: ZDZWKJQDJXYMGU-UHFFFAOYSA-N

Properties

• Density: 1.325g/cm³ (Cal.)
• Boiling point: 520.029°C at 760 mmHg (Cal.)
• Flash point: 268.304°C (Cal.)
• Refractive index: 1.636 (Cal.)