Propoxycarbazone

Base Information

• Chemical Name: Propoxycarbazone
• CAS No.: 145026-81-9
• Molecular Formula: C15H18 N4 O7 S
• Molecular Weight: 398.39
• European Community (EC) Number: 604-454-6
• UNII: 161W380R06
• DSSTox Substance ID: DTXSID8037704
• Nikkaji Number: J1.510.088E
• Wikidata: Q22808796
• Metabolomics Workbench ID: 155662
• ChEMBL ID: CHEMBL1882497
• Mol file: 145026-81-9.mol

Synonyms:N-((2-(methoxycarbonyl)phenyl)sulfonyl)-4-methyl-5-oxo-3-propoxy-4,5-dihydro-1H-1,2,4-triazole-1-carboximidic acid;propoxycarbazone;propoxycarbazone sodium;sodium ((2-(methoxycarbonyl)phenyl)sulfonyl)((4-methyl-5-oxo-3-propoxy-4,5-dihydro-1H-1,2,4-triazol-1-yl)carbonyl)azanide;sodium methyl 2-((((4,5-dihydro-4-methyl-5-oxo-3-propoxy-1H-1,2,4-triazol-1-yl)carbonyl)-amino)sulfonyl)benzoate

Chemical Property of Propoxycarbazone

Chemical Property:

• Melting Point: 141°
• Boiling Point: °Cat760mmHg
• PKA: 2.1(at 25℃)
• Flash Point: °C
• PSA: 146.97000
• Density: 1.47g/cm³
• LogP: 1.57550
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 7
• Exact Mass: 398.08962010
• Heavy Atom Count: 27
• Complexity: 731

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

Useful:

• Canonical SMILES: CCCOC1=NN(C(=O)N1C)C(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)OC