2-[(E)-(4-Amino-5-methoxy-2-methylphenyl)diazenyl]benzene-1-sulfonic acid

Base Information

• Chemical Name: 2-[(E)-(4-Amino-5-methoxy-2-methylphenyl)diazenyl]benzene-1-sulfonic acid
• CAS No.: 59487-17-1
• Molecular Formula: C14H15N3O4S
• Molecular Weight: 321.35200
• DSSTox Substance ID: DTXSID50560487
• Nikkaji Number: J153.962K
• Mol file: 59487-17-1.mol

Synonyms:59487-17-1;DTXSID50560487;2-[(E)-(4-Amino-5-methoxy-2-methylphenyl)diazenyl]benzene-1-sulfonic acid

Chemical Property of 2-[(E)-(4-Amino-5-methoxy-2-methylphenyl)diazenyl]benzene-1-sulfonic acid

Chemical Property:

• PKA: -1.10±0.30(Predicted)
• PSA: 122.72000
• Density: 1.40±0.1 g/cm3(Predicted)
• LogP: 4.90990
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 4
• Exact Mass: 321.07832714
• Heavy Atom Count: 22
• Complexity: 491

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1N=NC2=CC=CC=C2S(=O)(=O)O)OC)N