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Substance Name: 1-Methylimidazole
RN: 616-47-7
UNII: P4617QS63Y
InChIKey: MCTWTZJPVLRJOU-UHFFFAOYSA-N

Molecular Formula

  • C4-H6-N2

Molecular Weight

  • 82.1054
 
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Names and Synonyms

Name of Substance

  • 1-Methylimidazole

Synonyms

  • 1-Methylimidazole
  • EC 210-484-7
  • EINECS 210-484-7
  • N-Methylimidazole
  • NSC 88064
  • UNII-P4617QS63Y

Systematic Names

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

Registry Numbers

CAS Registry Number

  • 616-47-7

FDA UNII

  • P4617QS63Y

Other Registry Numbers

  • 110069-11-9
  • 1167574-49-3
  • 1174917-56-6
  • 1179540-68-1
  • 120418-32-8
  • 1235442-19-9
  • 1246941-20-7
  • 1259523-87-9
  • 1357171-90-4
  • 1359978-71-4
  • 142504-34-5
  • 1532594-45-8
  • 1626357-11-6
  • 1799662-03-5
  • 1848219-06-6
  • 2210264-93-8
  • 674282-80-5
  • 69723-05-3
  • 864745-22-2
  • 955156-62-4

System Generated Number

  • 0000616477

Structure Descriptors

InChI

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

InChIKey

MCTWTZJPVLRJOU-UHFFFAOYSA-N

Smiles

Cn1ccnc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 380mg/kg (380mg/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 -6.00E+00 deg C   EXP
Boiling Point 195.5 deg C   EXP
pKa Dissociation Constant 6.95 (none) 25 EXP
log P (octanol-water) -0.06 (none)   EXP
Water Solubility 1.00E+06 mg/L 20 EXP
Vapor Pressure 0.478 mm Hg 25 EST
Henry's Law Constant 8.01E-05 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.