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Substance Name: N-Acetylimidazole
RN: 2466-76-4
UNII: ZMP8X1Y11G
InChIKey: VIHYIVKEECZGOU-UHFFFAOYSA-N

Classification Code

  • Tumor Data

Molecular Formula

  • C5-H6-N2-O

Molecular Weight

  • 110.115
 
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Names and Synonyms

Name of Substance

  • N-Acetylimidazole

Synonyms

  • 5-23-04-00218 (Beilstein Handbook Reference)
  • BRN 0108425
  • CCRIS 6534
  • EINECS 219-577-7
  • N-Acetylimidazole
  • UNII-ZMP8X1Y11G

Systematic Names

  • 1H-Imidazole, 1-acetyl-
  • Ethanone, 1-(1H-imidazol-1-yl)-
  • Imidazole, 1-acetyl-
  • N-Acetylimidazole

Registry Numbers

CAS Registry Number

  • 2466-76-4

FDA UNII

  • ZMP8X1Y11G

System Generated Number

  • 0002466764

Structure Descriptors

InChI

1S/C5H6N2O/c1-5(8)7-3-2-6-4-7/h2-4H,1H3

InChIKey

VIHYIVKEECZGOU-UHFFFAOYSA-N

Smiles

n1(C(C)=O)ccnc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo intraperitoneal 250mg/kg (250mg/kg) IMMUNOLOGICAL INCLUDING ALLERGIC: DECREASED IMMUNE RESPONSE Personal Communication from G.D. Stoner, Dept. of Community Medicine, School of Medicine, Univ. of California, La Jolla, CA 92037, May 25, 1975Vol. 27MAY1975,

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 99-105 deg C   EXP
pKa Dissociation Constant 3.6 (none) 25 EXP
log P (octanol-water) -0.34 (none)   EXP
Water Solubility 2.12E+05 mg/L 25 EST
Vapor Pressure 0.016 mm Hg 25 EST
Henry's Law Constant 1.69E-06 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 3.61E-11 cm3/molecule-sec 25 EST

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