5H-Pyrimido[4,5-b][1,4]oxazine

Base Information

• Chemical Name: 5H-Pyrimido[4,5-b][1,4]oxazine
• CAS No.: 255-12-9
• Molecular Formula: C6H5 N3 O
• Molecular Weight: 135.1234
• DSSTox Substance ID: DTXSID70701719
• Wikidata: Q82633485
• Mol file: 255-12-9.mol

Synonyms:5H-Pyrimido[4,5-b][1,4]oxazine;255-12-9;SCHEMBL9380786;DTXSID70701719

Chemical Property of 5H-Pyrimido[4,5-b][1,4]oxazine

Chemical Property:

• Boiling Point: 249.0±40.0 °C(Predicted)
• PKA: 2.71±0.20(Predicted)
• PSA: 47.04000
• Density: 1.310±0.06 g/cm3(Predicted)
• LogP: 0.89010
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 135.043261791
• Heavy Atom Count: 10
• Complexity: 148

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=COC2=NC=NC=C2N1