5-[[(1-Hydroxy-2-Naphthyl)Carbonyl][[3-[(1-Oxooctadecyl)Amino]Phenyl]Methyl]Amino]Phthalic Acid
[CAS# 58162-63-3]

Identification

• Name: 5-[[(1-Hydroxy-2-Naphthyl)Carbonyl][[3-[(1-Oxooctadecyl)Amino]Phenyl]Methyl]Amino]Phthalic Acid
• Synonyms: 5-[[(1-Hydroxy-2-Naphthyl)-Oxomethyl]-[[3-(1-Oxooctadecylamino)Phenyl]Methyl]Amino]Benzene-1,3-Dicarboxylic Acid; 5-[(1-Hydroxynaphthalene-2-Carbonyl)-(3-Stearamidobenzyl)Amino]Isophthalic Acid; 5-[(1-Hydroxynaphthalen-2-Yl)Carbonyl-[[3-(Octadecanoylamino)Phenyl]Methyl]Amino]Benzene-1,3-Dicarboxylic Acid
• Molecular Formula: C₄₄H₅₄N₂O₇
• Molecular Weight: 722.92
• CAS Registry Number: 58162-63-3
• EINECS: 261-147-6
• SMILES: C3=C(C(=O)N(C1=CC(=CC(=C1)C(=O)O)C(=O)O)CC2=CC(=CC=C2)NC(=O)CCCCCCCCCCCCCCCCC)C(=C4C(=C3)C=CC=C4)O
• InChI: 1S/C44H54N2O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-24-40(47)45-36-22-19-20-32(27-36)31-46(37-29-34(43(50)51)28-35(30-37)44(52)53)42(49)39-26-25-33-21-17-18-23-38(33)41(39)48/h17-23,25-30,48H,2-16,24,31H2,1H3,(H,45,47)(H,50,51)(H,52,53)
• InChIKey: ZHVDMTBKQQTUPA-UHFFFAOYSA-N

Properties

• Density: 1.2g/cm³ (Cal.)
• Boiling point: 941.041°C at 760 mmHg (Cal.)
• Flash point: 522.923°C (Cal.)