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Substance Name: 2-Methylimidazole
RN: 693-98-1
UNII: T0049Z45LZ
InChIKey: LXBGSDVWAMZHDD-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

  • 2-Methylimidazole

Synonyms

  • 1H-Imidazole, 2-methyl-
  • 2-Methylimidazole
  • AI3-50033
  • CCRIS 2459
  • EC 211-765-7
  • EINECS 211-765-7
  • HSDB 7756
  • NSC 21394
  • UNII-T0049Z45LZ

Systematic Names

  • 1H-Imidazole, 2-methyl-
  • 2-Methylimidazole
  • Imidazole, 2-methyl-

Superlist Name

  • 2-Methylimidazole

Registry Numbers

CAS Registry Number

  • 693-98-1

FDA UNII

  • T0049Z45LZ

Other Registry Numbers

  • 112288-03-6
  • 156107-73-2
  • 79103-58-5

System Generated Number

  • 0000693981

Structure Descriptors

InChI

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

InChIKey

LXBGSDVWAMZHDD-UHFFFAOYSA-N

Smiles

Cc1ncc[nH]1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 480mg/kg (480mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Toxicology and Applied Pharmacology. Vol. 14, Pg. 301, 1969.
mouse LD50 oral 1400mg/kg (1400mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Toxicology and Applied Pharmacology. Vol. 14, Pg. 301, 1969.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 144 deg C   EXP
Boiling Point 267 deg C   EXP
pKa Dissociation Constant 7.851 (none) 25 EXP
log P (octanol-water) 0.24 (none)   EXP
Water Solubility 8.09E+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.