4-Acetamido-3-amino-5-hydroxybenzoic acid

Base Information

• Chemical Name: 4-Acetamido-3-amino-5-hydroxybenzoic acid
• CAS No.: 162252-46-2
• Molecular Formula: C9H10 N2 O4
• Molecular Weight: 210.1867
• Hs Code.: 2924299090
• DSSTox Substance ID: DTXSID70332224
• Nikkaji Number: J677.603E
• Wikidata: Q27097774
• Metabolomics Workbench ID: 151698
• ChEMBL ID: CHEMBL109005
• Mol file: 162252-46-2.mol

Synonyms:4-(acetylamino)-3-hydroxy-5-aminobenzoic acid;BANA 106;BANA-106;BANA106

Chemical Property of 4-Acetamido-3-amino-5-hydroxybenzoic acid

Chemical Property:

• Boiling Point: 533.2±50.0 °C(Predicted)
• PKA: 4.31±0.10(Predicted)
• PSA: 116.14000
• Density: 1.548±0.06 g/cm3(Predicted)
• LogP: 1.86170
• Storage Temp.: 2-8°C
• XLogP3: -0.4
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 210.06405680
• Heavy Atom Count: 15
• Complexity: 269

Purity/Quality:

97% ^*data from raw suppliers

4-Acetamido-3-amino-5-hydroxybenzoicacid 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)NC1=C(C=C(C=C1O)C(=O)O)N