4-[(4-Methylphenyl)sulfonyl-octylamino]benzoic acid

Base Information

• Chemical Name: 4-[(4-Methylphenyl)sulfonyl-octylamino]benzoic acid
• CAS No.: 82318-17-0
• Molecular Formula: C22H29NO4S
• Molecular Weight: 403.535
• NSC Number: 164958
• DSSTox Substance ID: DTXSID80304250
• Wikidata: Q82050058
• ChEMBL ID: CHEMBL1774311
• Mol file: 82318-17-0.mol

Synonyms:4-[(4-methylphenyl)sulfonyl-octylamino]benzoic acid;82318-17-0;CHEMBL1774311;NSC164958;DTXSID80304250;BDBM50343532;NSC-164958

Chemical Property of 4-[(4-Methylphenyl)sulfonyl-octylamino]benzoic acid

Chemical Property:

• Vapor Pressure: 1.07E-13mmHg at 25°C
• Melting Point: 178-179 °C
• Boiling Point: 567.1°Cat760mmHg
• PKA: 4.28±0.10(Predicted)
• Flash Point: 296.7°C
• PSA: 83.06000
• Density: 1.181g/cm³
• LogP: 6.32980
• XLogP3: 5.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 11
• Exact Mass: 403.18172958
• Heavy Atom Count: 28
• Complexity: 556

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCN(C1=CC=C(C=C1)C(=O)O)S(=O)(=O)C2=CC=C(C=C2)C