2-Hydroxy-3-sulfo-5-(3-aminobenzamido)benzoic acid

Base Information

• Chemical Name: 2-Hydroxy-3-sulfo-5-(3-aminobenzamido)benzoic acid
• CAS No.: 6201-79-2
• Molecular Formula: C14H12N2O7S
• Molecular Weight: 352.31928
• DSSTox Substance ID: DTXSID30698550
• Wikidata: Q82628823
• Mol file: 6201-79-2.mol

Synonyms:2-HYDROXY-3-SULFO-5-(3-AMINOBENZAMIDO)BENZOIC ACID;6201-79-2;5-[(3-aminobenzoyl)amino]-2-hydroxy-3-sulfobenzoic acid;DTXSID30698550;Salicylic acid, 5-(m-aminobenzamido)-3-sulfo-;5-(3-Aminobenzamido)-2-hydroxy-3-sulfobenzoic acid;Benzoic acid, 5-[(3-aminobenzoyl)amino]-2-hydroxy-3-sulfo-

Chemical Property of 2-Hydroxy-3-sulfo-5-(3-aminobenzamido)benzoic acid

Chemical Property:

• PKA: -1.13±0.50(Predicted)
• PSA: 175.40000
• Density: 1.724±0.06 g/cm3(Predicted)
• 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: 588

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(=C1)N)C(=O)NC2=CC(=C(C(=C2)S(=O)(=O)O)O)C(=O)O