5-[[1,3-Dioxo-3-[4-[(1-Oxohexadecyl)Amino]Phenyl]Propyl]Amino]Isophthalic Acid
[CAS# 94386-43-3]

Identification

• Name: 5-[[1,3-Dioxo-3-[4-[(1-Oxohexadecyl)Amino]Phenyl]Propyl]Amino]Isophthalic Acid
• Synonyms: 5-[[3-[4-(Hexadecanoylamino)Phenyl]-3-Oxo-Propanoyl]Amino]Benzene-1,3-Dicarboxylic Acid; 5-[[1,3-Dioxo-3-[4-(1-Oxohexadecylamino)Phenyl]Propyl]Amino]Benzene-1,3-Dicarboxylic Acid; 5-[[3-Keto-3-(4-Palmitamidophenyl)Propanoyl]Amino]Isophthalic Acid
• Molecular Formula: C₃₃H₄₄N₂O₇
• Molecular Weight: 580.72
• CAS Registry Number: 94386-43-3
• EINECS: 305-265-9
• SMILES: C2=C(NC(=O)CC(=O)C1=CC=C(NC(=O)CCCCCCCCCCCCCCC)C=C1)C=C(C=C2C(=O)O)C(=O)O
• InChI: 1S/C33H44N2O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-30(37)34-27-18-16-24(17-19-27)29(36)23-31(38)35-28-21-25(32(39)40)20-26(22-28)33(41)42/h16-22H,2-15,23H2,1H3,(H,34,37)(H,35,38)(H,39,40)(H,41,42)
• InChIKey: AZOTVGZNUKURSS-UHFFFAOYSA-N

Properties

• Density: 1.191g/cm³ (Cal.)
• Boiling point: 846.202°C at 760 mmHg (Cal.)
• Flash point: 465.566°C (Cal.)