Sodium 2-[[(2-Oleoylethyl)Amino]Carbonyl]Benzoate
[CAS# 94088-52-5]

Identification

• Name: Sodium 2-[[(2-Oleoylethyl)Amino]Carbonyl]Benzoate
• Synonyms: Sodium 2-[Oxo-[[(Z)-3-Oxoicos-11-Enyl]Amino]Methyl]Benzoate; Sodium 2-[[(Z)-3-Ketoicos-11-Enyl]Carbamoyl]Benzoate
• Molecular Formula: C₂₈H₄₂NNaO₄
• Molecular Weight: 479.63
• CAS Registry Number: 94088-52-5
• EINECS: 302-053-8
• SMILES: C1=CC=CC(=C1C(=O)NCCC(=O)CCCCCCC\C=C/CCCCCCCC)C([O-])=O.[Na+]
• InChI: 1S/C28H43NO4.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-24(30)22-23-29-27(31)25-20-17-18-21-26(25)28(32)33;/h9-10,17-18,20-21H,2-8,11-16,19,22-23H2,1H3,(H,29,31)(H,32,33);/q;+1/p-1/b10-9-
• InChIKey: DIXVAIQSJHDFAV-KVVVOXFISA-M

Properties

• Boiling point: 647.5°C at 760 mmHg (Cal.)
• Flash point: 345.4°C (Cal.)