4-(Methyloctadecylamino)-3-Nitrobenzoic Acid
[CAS# 94160-44-8]

Identification

• Name: 4-(Methyloctadecylamino)-3-Nitrobenzoic Acid
• Synonyms: 4-(1-Methyloctadecylamino)-3-Nitro-Benzoic Acid; 4-(1-Methyloctadecylamino)-3-Nitrobenzoic Acid; 4-(Methyloctadecylamino)-3-Nitrobenzoic Acid
• Molecular Formula: C₂₆H₄₄N₂O₄
• Molecular Weight: 448.64
• CAS Registry Number: 94160-44-8
• EINECS: 303-329-0
• SMILES: C1=C(C=CC(=C1[N+]([O-])=O)NC(CCCCCCCCCCCCCCCCC)C)C(=O)O
• InChI: 1S/C26H44N2O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(2)27-24-20-19-23(26(29)30)21-25(24)28(31)32/h19-22,27H,3-18H2,1-2H3,(H,29,30)
• InChIKey: WLIMMRFYMCLDOK-UHFFFAOYSA-N

Properties

• Density: 1.042g/cm³ (Cal.)
• Boiling point: 574.577°C at 760 mmHg (Cal.)
• Flash point: 301.294°C (Cal.)