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Substance Name: Hydantoic acid
RN: 462-60-2
UNII: Q4F314U63K
InChIKey: KZVRXPPUJQRGFN-UHFFFAOYSA-N

Note

  • Norallophanic acid.

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C3-H6-N2-O3

Molecular Weight

  • 118.0914
 
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Names and Synonyms

Name of Substance

  • Hydantoic acid

Synonyms

  • 4-04-00-02411 (Beilstein Handbook Reference)
  • Acetic acid, ((aminocarbonyl)amino)-
  • Acetic acid, ureido-
  • BRN 1812022
  • Carbamoylglycine
  • Carbomoylglycine
  • CB 1636
  • CCRIS 6533
  • EINECS 207-328-5
  • Glycoluric acid
  • Hydantoic acid
  • N-Carbamoylglycine
  • N-Carbamylglycine
  • NSC 49417
  • UNII-Q4F314U63K
  • Urea, (carboxymethyl)-

Systematic Names

  • Glycine, N-(aminocarbonyl)-
  • Glycine, N-carbamoyl- (7CI,8CI)
  • Hydantoic acid

Registry Numbers

CAS Registry Number

  • 462-60-2

FDA UNII

  • Q4F314U63K

System Generated Number

  • 0000462602

Structure Descriptors

InChI

1S/C3H6N2O3/c4-3(8)5-1-2(6)7/h1H2,(H,6,7)(H3,4,5,8)

InChIKey

KZVRXPPUJQRGFN-UHFFFAOYSA-N

Smiles

C(CNC(N)=O)(O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 1gm/kg (1000mg/kg)   Khimiko-Farmatsevticheskii Zhurnal. Chemical Pharmaceutical Journal. For English translation, see PCJOAU. Vol. 24(4), Pg. 32, 1990.
rat LDLo intraperitoneal 500mg/kg (500mg/kg)   Biochemical Pharmacology. Vol. 5, Pg. 108, 1960.

Physical Properties

Physical Property Value Units Temp (deg C) Source
pKa Dissociation Constant 3.8894 (none) 15 EXP
log P (octanol-water) -1.420 (none)   EST
Water Solubility 3.10E+04 mg/L 20 EXP
Vapor Pressure 2.47E-04 mm Hg 25 EST
Henry's Law Constant 1.19E-13 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 5.39E-12 cm3/molecule-sec 25 EST

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