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Substance Name: Isoguanine
RN: 3373-53-3
UNII: E335PK4428
InChIKey: DRAVOWXCEBXPTN-UHFFFAOYSA-N

Molecular Formula

  • C5-H5-N5-O

Molecular Weight

  • 151.1285
 
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Names and Synonyms

Name of Substance

  • Isoguanine

Synonyms

  • EINECS 222-157-6
  • NSC 241501
  • UNII-E335PK4428

Systematic Names

  • 2H-Purin-2-one, 6-amino-1,3-dihydro- (9CI)
  • 6-Amino-1,3-dihydro-2H-purin-2-one
  • Isoguanine

Registry Numbers

CAS Registry Number

  • 3373-53-3

FDA UNII

  • E335PK4428

System Generated Number

  • 0003373533

Structure Descriptors

InChI

1S/C5H5N5O/c6-3-2-4(8-1-7-2)10-5(11)9-3/h1H,(H4,6,7,8,9,10,11)

InChIKey

DRAVOWXCEBXPTN-UHFFFAOYSA-N

Smiles

c1[nH]c2c(nc(=O)[nH]c2n1)N

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point >360 deg C   EXP
log P (octanol-water) -1.830 (none)   EST
Water Solubility 62.5 mg/L 20 EXP
Atmospheric OH Rate Constant 9.18E-11 cm3/molecule-sec 25 EST

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