1-(Docos-13-Enyl)-5-Oxopyrrolidine-3-Carboxylic Acid
[CAS# 94108-45-9]

Identification

• Name: 1-(Docos-13-Enyl)-5-Oxopyrrolidine-3-Carboxylic Acid
• Synonyms: 1-[(E)-Docos-13-Enyl]-5-Oxo-Pyrrolidine-3-Carboxylic Acid; 1-[(E)-Docos-13-Enyl]-5-Oxo-3-Pyrrolidinecarboxylic Acid; 1-[(E)-Docos-13-Enyl]-5-Keto-Pyrrolidine-3-Carboxylic Acid
• Molecular Formula: C₂₇H₄₉NO₃
• Molecular Weight: 435.69
• CAS Registry Number: 94108-45-9
• EINECS: 302-385-3
• SMILES: C(N1C(=O)CC(C(=O)O)C1)CCCCCCCCCCC\C=C\CCCCCCCC
• InChI: 1S/C27H49NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-28-24-25(27(30)31)23-26(28)29/h9-10,25H,2-8,11-24H2,1H3,(H,30,31)/b10-9+
• InChIKey: CDCVCKDFKJKQJN-MDZDMXLPSA-N

Properties

• Density: 0.969g/cm³ (Cal.)
• Boiling point: 576.734°C at 760 mmHg (Cal.)
• Flash point: 302.598°C (Cal.)