3-(3-Hydroxy-4-nitroso-N-propylanilino)propanesulfonic acid

Base Information

• Chemical Name: 3-(3-Hydroxy-4-nitroso-N-propylanilino)propanesulfonic acid
• CAS No.: 80459-15-0
• Molecular Formula: C12H18N2O5S
• Molecular Weight: 302.351
• European Community (EC) Number: 690-802-2
• DSSTox Substance ID: DTXSID80398078
• Nikkaji Number: J227.793J
• Wikidata: Q82199842
• Mol file: 80459-15-0.mol

Synonyms:80459-15-0;3-(3-Hydroxy-4-nitroso-N-propylanilino)propanesulfonic acid;Nitroso-PSAP;3-(3-hydroxy-4-nitroso-N-propylanilino)propane-1-sulfonic acid;2-Nitroso-5-(N-propyl-3-sulfopropylamino)phenol;SCHEMBL2266611;DTXSID80398078;FT-0641764;2-nitroso-5-(n-propyl-n-sulfopropylamino) phenol;A839917;3-(3-hydroxy-4-nitroso-N-propylanilino)-1-propanesulfonic acid;3-((3-hydroxy-4-nitrosophenyl)(propyl)amino)propane-1-sulfonic acid;3-[(4-nitroso-3-oxidanyl-phenyl)-propyl-amino]propane-1-sulfonic acid

Chemical Property of 3-(3-Hydroxy-4-nitroso-N-propylanilino)propanesulfonic acid

Chemical Property:

• Melting Point: 210oC
• PKA: 1.73±0.50(Predicted)
• PSA: 115.65000
• Density: 1.34g/cm3
• LogP: 3.36520
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 7
• Exact Mass: 302.09364285
• Heavy Atom Count: 20
• Complexity: 395

Purity/Quality:

99% ^*data from raw suppliers

3-(3-HYDROXY-4-NITROSO-N-PROPYLANILINO) PROPANESULFONIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCN(CCCS(=O)(=O)O)C1=CC(=C(C=C1)N=O)O