Isocytosine

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Catalog Number
ACM108532
Product Name
Isocytosine
Structure
Structure
CAS
108-53-2
Category
Heterocyclic Organic Compound
Synonyms
2-Amino-6-hydroxpyrimidine
IUPAC Name
2-Amino-1H-pyrimidin-6-one
Molecular Weight
111.1
Molecular Formula
C4H5N3O
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
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