2-Benzyl 1-Ethyl (1S,3aR,6aS)-4-Oxohexahydrocyclopenta[c]Pyrrole-1,2(1H)-Dicarboxylate
[CAS# 402958-21-8]

Identification

• Name: 2-Benzyl 1-Ethyl (1S,3aR,6aS)-4-Oxohexahydrocyclopenta[c]Pyrrole-1,2(1H)-Dicarboxylate
• Synonyms: Cyclopenta[c]pyrrole-1,2(1H)-dicarboxylicacid, hexahydro-4-oxo-,1-ethyl-2-(phenylmethyl)ester, (1S,3aR,6aS)-
• Molecular Formula: C₁₈H₂₁NO₅
• Molecular Weight: 331.36
• CAS Registry Number: 402958-21-8
• SMILES: O=C(OCC)[C@H]2N(C(=O)OCc1ccccc1)C[C@@H]3C(=O)CC[C@H]23
• InChI: 1S/C18H21NO5/c1-2-23-17(21)16-13-8-9-15(20)14(13)10-19(16)18(22)24-11-12-6-4-3-5-7-12/h3-7,13-14,16H,2,8-11H2,1H3/t13-,14-,16-/m0/s1
• InChIKey: VFGHIBHHMQQACC-DZKIICNBSA-N

Properties

• Density: 1.26g/cm³ (Cal.)
• Boiling point: 475.04°C at 760 mmHg (Cal.)
• Flash point: 241.096°C (Cal.)
• Refractive index: 1.56 (Cal.)