Sodium 4-[[(1-Oxooctadecyl)Amino]Carbonyl]Benzoate
[CAS# 94201-82-8]

Identification

• Name: Sodium 4-[[(1-Oxooctadecyl)Amino]Carbonyl]Benzoate
• Synonyms: Sodium 4-[Oxo-(1-Oxooctadecylamino)Methyl]Benzoate; Sodium 4-(Stearoylcarbamoyl)Benzoate
• Molecular Formula: C₂₆H₄₀NNaO₄
• Molecular Weight: 453.60
• CAS Registry Number: 94201-82-8
• EINECS: 303-672-6
• SMILES: C1=C(C(=O)NC(=O)CCCCCCCCCCCCCCCCC)C=CC(=C1)C([O-])=O.[Na+]
• InChI: 1S/C26H41NO4.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(28)27-25(29)22-18-20-23(21-19-22)26(30)31;/h18-21H,2-17H2,1H3,(H,30,31)(H,27,28,29);/q;+1/p-1
• InChIKey: PCYDUGMBAYGAAR-UHFFFAOYSA-M

Properties

• Boiling point: 593.5°C at 760 mmHg (Cal.)
• Flash point: 312.8°C (Cal.)