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Substance Name: 4-Methylimidazole
RN: 822-36-6
UNII: Q64GF9FV4I
InChIKey: XLSZMDLNRCVEIJ-UHFFFAOYSA-N

Classification Code

  • Tumor Data

Molecular Formula

  • C4-H6-N2

Molecular Weight

  • 82.1054
 
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Names and Synonyms

Name of Substance

  • 4-Methylimidazole

Synonyms

  • 4(or 5)-Methylimidazole
  • 4-Me-i
  • 4-MeI
  • 4-Methylimidazole
  • AI3-08274
  • CCRIS 8912
  • EC 212-497-3
  • EINECS 212-497-3
  • HSDB 7757
  • NSC 40744
  • UNII-Q64GF9FV4I

Systematic Names

  • 1H-Imidazole, 4-methyl-
  • 1H-Imidazole, 5-methyl-
  • 4-Methyl-1H-imidazole
  • 4-Methylimidazole
  • Imidazole, 4-methyl-

Registry Numbers

CAS Registry Number

  • 822-36-6

FDA UNII

  • Q64GF9FV4I

Other Registry Numbers

  • 163498-05-3
  • 196413-10-2
  • 872-33-3
  • 88054-16-4
  • 928113-28-4

System Generated Number

  • 0000822366

Structure Descriptors

InChI

1S/C4H6N2/c1-4-2-5-3-6-4/h2-3H,1H3,(H,5,6)

InChIKey

XLSZMDLNRCVEIJ-UHFFFAOYSA-N

Smiles

Cc1cnc[nH]1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
chicken LD50 intraperitoneal 210mg/kg (210mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Toxicology and Applied Pharmacology. Vol. 14, Pg. 301, 1969.
chicken LD50 oral 590mg/kg (590mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Toxicology and Applied Pharmacology. Vol. 14, Pg. 301, 1969.
mouse LD50 intraperitoneal 165mg/kg (165mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Toxicology and Applied Pharmacology. Vol. 14, Pg. 301, 1969.
mouse LD50 oral 370mg/kg (370mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Toxicology and Applied Pharmacology. Vol. 14, Pg. 301, 1969.
rabbit LDLo intraperitoneal 120mg/kg (120mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Toxicology and Applied Pharmacology. Vol. 14, Pg. 301, 1969.
rat LD50 oral 751mg/kg (751mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: TREMOR

GASTROINTESTINAL: OTHER CHANGES
Toxicology and Applied Pharmacology. Vol. 89, Pg. 175, 1987.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 56 deg C   EXP
Boiling Point 263 deg C   EXP
log P (octanol-water) 0.23 (none)   EXP
Water Solubility 8.25E+04 mg/L 25 EST
Vapor Pressure 0.015 mm Hg 25 EST
Henry's Law Constant 4.14E-06 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 9.41E-11 cm3/molecule-sec 25 EST

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