5-(4-Acetamidophenyl)-3-ureido-s-triazole hemihydrate

Base Information

• Chemical Name: 5-(4-Acetamidophenyl)-3-ureido-s-triazole hemihydrate
• CAS No.: 69226-78-4
• Molecular Formula: C11H12 N6 O2 . 1/2 H2 O
• Molecular Weight: 278.271
• DSSTox Substance ID: DTXSID10219287
• Mol file: 69226-78-4.mol

Synonyms:5-(4-Acetamidophenyl)-3-ureido-s-triazole hemihydrate;69226-78-4;1H-1,2,4-Triazole, 5-(p-acetamidophenyl)-3-ureido-, hemihydrate;Acetamide, N-(p-(3-ureido-5-(1H)-1,2,4-triazolyl)phenyl)-, hemihydrate;DTXSID10219287;C11H12N6O2.1/2H2O;LS-155749;C11-H12-N6-O2.1/2H2-O;Acetamide, N-[4-[5-[(aminocarbonyl)amino]-1H-1,2,4-triazol-3-yl]phenyl]-, hemihydrate

Chemical Property of 5-(4-Acetamidophenyl)-3-ureido-s-triazole hemihydrate

Chemical Property:

• PSA: 269.77000
• LogP: 4.24970
• Hydrogen Bond Donor Count: 9
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 6
• Exact Mass: 538.21491198
• Heavy Atom Count: 39
• Complexity: 342

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

5-(4-ACETAMIDOPHENYL)-3-UREIDO-S-TRIAZOLE HEMIHYDRATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)NC1=CC=C(C=C1)C2=NC(=NN2)NC(=O)N.CC(=O)NC1=CC=C(C=C1)C2=NC(=NN2)NC(=O)N.O

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