2-[(E)-[1-(2-aminothiazol-4-yl)-2-oxo-2-(2-oxoethylamino)ethylidene]amino]oxy-2-methyl-propanoic acid

Base Information

• Chemical Name: 2-[(E)-[1-(2-aminothiazol-4-yl)-2-oxo-2-(2-oxoethylamino)ethylidene]amino]oxy-2-methyl-propanoic acid
• CAS No.: 194241-83-3
• Molecular Formula: C12H16N4O5S
• Molecular Weight: 328.34424
• DSSTox Substance ID: DTXSID60173047
• Wikidata: Q27291800
• Mol file: 194241-83-3.mol

Synonyms:Aldehyde 2;Q27291800;2-[(E)-[1-(2-aminothiazol-4-yl)-2-oxo-2-(2-oxoethylamino)ethylidene]amino]oxy-2-methyl-propanoic acid;Propanoic acid, 2-[[[(1E)-1-(2-amino-4-thiazolyl)-2-oxo-2-[(2-oxoethyl)amino]ethylidene]amino]oxy]-2-methyl-

Chemical Property of 2-[(E)-[1-(2-aminothiazol-4-yl)-2-oxo-2-(2-oxoethylamino)ethylidene]amino]oxy-2-methyl-propanoic acid

Chemical Property:

• PKA: 2.94±0.10(Predicted)
• PSA: 176.43000
• Density: 1.52±0.1 g/cm3(Predicted)
• LogP: 0.39470
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 7
• Exact Mass: 314.06849073
• Heavy Atom Count: 21
• Complexity: 454

Purity/Quality:

99%, ^*data from raw suppliers

Ceftazidime impurity G ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C(=O)O)ON=C(C1=CSC(=N1)N)C(=O)NCC=O
• Isomeric SMILES: CC(C)(C(=O)O)O/N=C(\C1=CSC(=N1)N)/C(=O)NCC=O
• Uses: (E)-2-(((2-(2Aminothiazol-4-yl)-3-oxo-3-((2-oxoethyl)amino)prop-1-en-1-yl)amino)oxy)-2-methylpropanoic Acid

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