1,3-Dimethyl-5-diazobarbituric acid

Base Information

• Chemical Name: 1,3-Dimethyl-5-diazobarbituric acid
• CAS No.: 74808-90-5
• Molecular Formula: C6H6 N4 O3
• Molecular Weight: 182.139
• NSC Number: 90345
• DSSTox Substance ID: DTXSID10398122
• Nikkaji Number: J1.477.050J
• Wikidata: Q82199923
• Mol file: 74808-90-5.mol

Synonyms:1,3-Dimethyl-5-diazobarbituric acid;74808-90-5;NCIOpen2_001539;SCHEMBL9748745;DTXSID10398122;NSC90345;NSC-90345;5-Diazonio-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-olate

Chemical Property of 1,3-Dimethyl-5-diazobarbituric acid

Chemical Property:

• XLogP3: 0.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 182.04399007
• Heavy Atom Count: 13
• Complexity: 338

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C(=C(C(=O)N(C1=O)C)[N+]#N)[O-]