Isocytosine

• CAS: 108-53-2
• Catalog Number: ACM108532
• Category: Other Products
• Molecular Weight: 111.1
• Molecular Formula: C4H5N3O
• Synonyms: 2-Amino-6-hydroxpyrimidine
• IUPAC Name: 2-Amino-1H-pyrimidin-6-one
• Canonical SMILES: C1=CN=C(NC1=O)N
• InChI: InChI=1S/C4H5N3O/c5-4-6-2-1-3(8)7-4/h1-2H,(H3,5,6,7,8)
• InChI Key: XQCZBXHVTFVIFE-UHFFFAOYSA-N
• Melting Point: 275 °C
• Flash Point: 106.7 °C
• Density: 1.55±0.1 g/cm³
• Solubility: Soluble in DMF, DMSO, hot water, AcOH
• Appearance: White to off-white crystalline powder
• Storage: Keep in dark place, inert atmosphere, room temperature
• Complexity: 170
• Exact Mass: 111.043261792
• Monoisotopic Mass: 111.043261792
• pKa: 9.59±0.40(Predicted)
• Refractive Index: 1.688
• Topological Polar Surface Area: 67.5 Ų