Sodium 4-[(Octadecylamino)Carbonyl]Benzoate
[CAS# 5994-45-6]

Identification

• Name: Sodium 4-[(Octadecylamino)Carbonyl]Benzoate
• Synonyms: Sodium 4-[(Octadecylamino)-Oxomethyl]Benzoate; Sodium 4-(Stearylcarbamoyl)Benzoate; Benzoic Acid, 4-((Octadecylamino)Carbonyl)-, Monosodium Salt
• Molecular Formula: C₂₆H₄₂NNaO₃
• Molecular Weight: 439.61
• CAS Registry Number: 5994-45-6
• EINECS: 227-822-4
• SMILES: C1=C(C(=O)NCCCCCCCCCCCCCCCCCC)C=CC(=C1)C([O-])=O.[Na+]
• InChI: 1S/C26H43NO3.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-27-25(28)23-18-20-24(21-19-23)26(29)30;/h18-21H,2-17,22H2,1H3,(H,27,28)(H,29,30);/q;+1/p-1
• InChIKey: OFXWMRZFGHOKKH-UHFFFAOYSA-M

Properties

• Boiling point: 574.7°C at 760 mmHg (Cal.)
• Flash point: 301.4°C (Cal.)