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Substance Name: Isocytosine
RN: 108-53-2
InChIKey: XQCZBXHVTFVIFE-UHFFFAOYSA-N

Molecular Formula

  • C4-H5-N3-O

Molecular Weight

  • 111.1035
 
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Names and Synonyms

Name of Substance

  • Isocytosine

Synonyms

  • 2-Amino-4-hydroxypyrimidine
  • 2-Amino-4-oxypyrimidine
  • 2-Amino-4-pyrimdinol
  • 2-Amino-4-pyrimidone
  • 4(3H)-Pyrimidinone, 2-amino-
  • 4-Pyrimidinol, 2-amino-
  • AI3-52238
  • EINECS 203-592-0
  • Isocytosine (VAN)
  • NSC 49118

Systematic Names

  • 4(1H)-Pyrimidinone, 2-amino- (9CI)
  • Isocytosine

Registry Numbers

CAS Registry Number

  • 108-53-2

System Generated Number

  • 0000108532

Structure Descriptors

InChI

1S/C4H5N3O/c5-4-6-2-1-3(8)7-4/h1-2H,(H3,5,6,7,8)

InChIKey

XQCZBXHVTFVIFE-UHFFFAOYSA-N

Smiles

c1cnc([nH]c1=O)N

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) -0.99 (none)   EXP
Water Solubility 3.70E+04 mg/L 25 EST
Vapor Pressure 1.51E-06 mm Hg 25 EST
Henry's Law Constant 6.09E-14 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 3.33E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.