2-(Dioctadecylcarbamoyl)benzoic acid

Base Information

• Chemical Name: 2-(Dioctadecylcarbamoyl)benzoic acid
• CAS No.: 127733-92-0
• Molecular Formula: C44H79NO3
• Molecular Weight: 670.10300
• European Community (EC) Number: 413-800-3,603-241-5,618-070-1
• UNII: 5552GSZ9LI
• DSSTox Substance ID: DTXSID9072943
• Nikkaji Number: J464.115I
• RXCUI: 1312560
• Wikidata: Q27261276
• Mol file: 127733-92-0.mol

Synonyms:2-(dioctadecylamino)carbonylbenzoic acid;distearyl phthalic acid amide

Chemical Property of 2-(Dioctadecylcarbamoyl)benzoic acid

Chemical Property:

• PSA: 57.61000
• LogP: 14.35000
• XLogP3: 18.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 36
• Exact Mass: 669.60599538
• Heavy Atom Count: 48
• Complexity: 673

Purity/Quality:

99% ^*data from raw suppliers

2-(Dioctadecylcarbamoyl)benzoic acid 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCC)C(=O)C1=CC=CC=C1C(=O)O