5-(Hexadecyl((1-hydroxy-2-naphthyl)carbonyl)amino)isophthalic acid

Base Information

• Chemical Name: 5-(Hexadecyl((1-hydroxy-2-naphthyl)carbonyl)amino)isophthalic acid
• CAS No.: 16868-55-6
• Molecular Formula: C35H45 N O6
• Molecular Weight: 575.7349
• European Community (EC) Number: 240-892-0
• DSSTox Substance ID: DTXSID80168591
• Nikkaji Number: J236.876E
• Wikidata: Q83038205
• Mol file: 16868-55-6.mol

Synonyms:16868-55-6;5-(Hexadecyl((1-hydroxy-2-naphthyl)carbonyl)amino)isophthalic acid;5-[HEXADECYL[(1-HYDROXY-2-NAPHTHYL)CARBONYL]AMINO]ISOPHTHALIC ACID;EINECS 240-892-0;5-[hexadecyl-(1-hydroxynaphthalene-2-carbonyl)amino]benzene-1,3-dicarboxylic acid;C35H45NO6;DTXSID80168591;C35-H45-N-O6;5-[Hexadecyl(1-hydroxy-2-naphthalenylcarbonyl)amino]-1,3-benzenedicarboxylic acid

Chemical Property of 5-(Hexadecyl((1-hydroxy-2-naphthyl)carbonyl)amino)isophthalic acid

Chemical Property:

• Vapor Pressure: 9.84E-26mmHg at 25°C
• Boiling Point: 781.7°Cat760mmHg
• PKA: 3.37±0.10(Predicted)
• Flash Point: 426.6°C
• PSA: 115.14000
• Density: 1.17g/cm³
• LogP: 9.06990
• XLogP3: 11.2
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 19
• Exact Mass: 575.32468816
• Heavy Atom Count: 42
• Complexity: 795

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCCCN(C1=CC(=CC(=C1)C(=O)O)C(=O)O)C(=O)C2=C(C3=CC=CC=C3C=C2)O