5-[Hexadecyl[(1-Hydroxy-2-Naphthyl)Carbonyl]Amino]Isophthalic Acid
[CAS# 16868-55-6]

Identification

• Name: 5-[Hexadecyl[(1-Hydroxy-2-Naphthyl)Carbonyl]Amino]Isophthalic Acid
• Synonyms: 5-[Hexadecyl-[(1-Hydroxy-2-Naphthyl)-Oxomethyl]Amino]Benzene-1,3-Dicarboxylic Acid; 5-[Cetyl-(1-Hydroxynaphthalene-2-Carbonyl)Amino]Isophthalic Acid; 5-[Hexadecyl-(1-Hydroxynaphthalen-2-Yl)Carbonyl-Amino]Benzene-1,3-Dicarboxylic Acid
• Molecular Formula: C₃₅H₄₅NO₆
• Molecular Weight: 575.74
• CAS Registry Number: 16868-55-6
• EINECS: 240-892-0
• SMILES: C2=C(C(=O)N(C1=CC(=CC(=C1)C(=O)O)C(=O)O)CCCCCCCCCCCCCCCC)C(=C3C(=C2)C=CC=C3)O
• InChI: 1S/C35H45NO6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-22-36(29-24-27(34(39)40)23-28(25-29)35(41)42)33(38)31-21-20-26-18-15-16-19-30(26)32(31)37/h15-16,18-21,23-25,37H,2-14,17,22H2,1H3,(H,39,40)(H,41,42)
• InChIKey: BDMSVJPUZFZQNO-UHFFFAOYSA-N

Properties

• Density: 1.17g/cm³ (Cal.)
• Boiling point: 781.728°C at 760 mmHg (Cal.)
• Flash point: 426.574°C (Cal.)