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Substance Name: 1H-Imidazole-4,5-dicarboxylic acid
RN: 570-22-9
InChIKey: ZEVWQFWTGHFIDH-UHFFFAOYSA-N

Molecular Formula

  • C5-H4-N2-O4

Molecular Weight

  • 156.097
 
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Names and Synonyms

Synonyms

  • 4,5-Dicarboxyimidazole
  • 4,5-Imidazoledicarboxylate
  • 5-25-05-00344 (Beilstein Handbook Reference)
  • AI3-52411
  • alpha,beta-Imidazoledicarboxylic acid
  • alpha-beta-Imidazolecarboxylic acid
  • BRN 0147774
  • EINECS 209-327-5
  • Glycoxalinedicarboxylic acid
  • Glyoxalinedicarboxylic acid
  • NSC 9236

Systematic Names

  • 1H-Imidazole-4,5-dicarboxylic acid
  • Imidazole-4,5-dicarboxylic acid

Registry Numbers

CAS Registry Number

  • 570-22-9

System Generated Number

  • 0000570229

Structure Descriptors

InChI

1S/C5H4N2O4/c8-4(9)2-3(5(10)11)7-1-6-2/h1H,(H,6,7)(H,8,9)(H,10,11)

InChIKey

ZEVWQFWTGHFIDH-UHFFFAOYSA-N

Smiles

O=C(O)c1[nH]cnc1C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1800mg/kg (1800mg/kg)   Russian Pharmacology and Toxicology Vol. 41, Pg. 249, 1978.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 288 deg C   EXP
log P (octanol-water) -0.180 (none)   EST
Water Solubility 500 mg/L 20 EXP
Atmospheric OH Rate Constant 5.98E-12 cm3/molecule-sec 25 EST

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