3-((4-Aminobenzoyl)amino)-5-sulphosalicylic acid

Base Information

• Chemical Name: 3-((4-Aminobenzoyl)amino)-5-sulphosalicylic acid
• CAS No.: 6201-80-5
• Molecular Formula: C29H34 O7 Si
• Molecular Weight: 352.31928
• European Community (EC) Number: 228-260-2
• DSSTox Substance ID: DTXSID50211063
• Nikkaji Number: J64.462E
• Mol file: 6201-80-5.mol

Synonyms:6201-80-5;3-((4-Aminobenzoyl)amino)-5-sulphosalicylic acid;3-[(4-aminobenzoyl)amino]-2-hydroxy-5-sulfobenzoic acid;EINECS 228-260-2;3-[(4-AMINOBENZOYL)AMINO]-5-SULPHOSALICYLIC ACID;Benzoic acid, 3-((4-aminobenzoyl)amino)-2-hydroxy-5-sulfo-;Benzoic acid, 3-[(4-aminobenzoyl)amino]-2-hydroxy-5-sulfo-;DTXSID50211063;Salicylic acid, 3-(p-aminobenzamido)-5-sulfo-;3-[(4-Aminobenzoyl)amino]-5-sulfosalicylic acid;3-(4-Aminobenzoylamino)-5-sulfo-2-hydroxybenzoic acid

Chemical Property of 3-((4-Aminobenzoyl)amino)-5-sulphosalicylic acid

Chemical Property:

• PKA: -0.77±0.50(Predicted)
• PSA: 175.40000
• Density: 1.724g/cm³
• LogP: 2.90660
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 4
• Exact Mass: 352.03652190
• Heavy Atom Count: 24
• Complexity: 580

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C(=O)NC2=CC(=CC(=C2O)C(=O)O)S(=O)(=O)O)N