Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 2,6-Dimethylpyrazine
RN: 108-50-9
UNII: N77Q72C9I3
InChIKey: HJFZAYHYIWGLNL-UHFFFAOYSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C6-H8-N2

Molecular Weight

  • 108.143
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Regulatory Agencies (Superlist Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • 2,6-Dimethylpyrazine

Synonyms

  • 2,6-Dimethyl-1,4-diazine
  • 2,6-Dimethylparadiazine
  • 2,6-Dimethylpiazine
  • 2,6-Dimethylpyrazine
  • 2,6-Dimethylpyrazine (natural)
  • 3,5-Dimethylpyrazine
  • CCRIS 2930
  • EINECS 203-589-4
  • FEMA No. 3273
  • Pyrazine, 2,6-dimethyl-
  • UNII-N77Q72C9I3

Systematic Names

  • 2,6-Dimethylpyrazine
  • Pyrazine, 2,6-dimethyl-

Superlist Name

  • 2,6-Dimethylpyrazine

Registry Numbers

CAS Registry Number

  • 108-50-9

FDA UNII

  • N77Q72C9I3

System Generated Number

  • 0000108509

Structure Descriptors

InChI

1S/C6H8N2/c1-5-3-7-4-6(2)8-5/h3-4H,1-2H3

InChIKey

HJFZAYHYIWGLNL-UHFFFAOYSA-N

Smiles

n1c(cncc1C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1080mg/kg (1080mg/kg)   Toxicology and Applied Pharmacology. Vol. 17, Pg. 244, 1970.
rat LD50 oral 880mg/kg (880mg/kg)   Drug and Chemical Toxicology. Vol. 3, Pg. 249, 1980.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 47.5 deg C   EXP
Boiling Point 155.6 deg C   EXP
pKa Dissociation Constant 1.9 (none) 27 EXP
log P (octanol-water) 0.54 (none)   EXP
Water Solubility 3.82E+04 mg/L 25 EST
Vapor Pressure 1.500 mm Hg 25 EST
Henry's Law Constant 3.55E-06 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.84E-12 cm3/molecule-sec 25 EST

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