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Substance Name: Parabanic acid
RN: 120-89-8
UNII: 3XGR439T9P
InChIKey: ZFLIKDUSUDBGCD-UHFFFAOYSA-N

Molecular Formula

  • C3-H2-N2-O3

Molecular Weight

  • 114.06
 
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Names and Synonyms

Name of Substance

  • Parabanic acid

Synonyms

  • AI3-60193
  • EINECS 204-434-3
  • Imidazole-trione
  • Imidazolidinetrione
  • NSC 9789
  • Oxalylurea
  • Parabanic acid
  • Trioxoimidazolidine
  • UNII-3XGR439T9P

Systematic Names

  • 2,4,5-Imidazolidinetrione
  • Imidazoletrione
  • Imidazolidinetrione

Registry Numbers

CAS Registry Number

  • 120-89-8

FDA UNII

  • 3XGR439T9P

System Generated Number

  • 0000120898

Structure Descriptors

InChI

1S/C3H2N2O3/c6-1-2(7)5-3(8)4-1/h(H2,4,5,6,7,8)

InChIKey

ZFLIKDUSUDBGCD-UHFFFAOYSA-N

Smiles

O=C1NC(=O)C(=O)N1

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 244 dec deg C   EXP
log P (octanol-water) -0.540 (none)   EST
Water Solubility 4.50E+04 mg/L 8 EXP
Atmospheric OH Rate Constant 2.00E-12 cm3/molecule-sec 25 EST

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