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Substance Name: 2,5-Dimethylpyrazine
RN: 123-32-0
UNII: V99Y0MUY1Q
InChIKey: LCZUOKDVTBMCMX-UHFFFAOYSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C6-H8-N2

Molecular Weight

  • 108.143
 
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Names and Synonyms

Name of Substance

  • 2,5-Dimethylpyrazine

Synonyms

  • 2,5-Dimethyl-1,4-diazine
  • 2,5-Dimethylparadiazine
  • 2,5-Dimethylpiazine
  • 2,5-Dimethylpyrazine
  • 2,5-Dimethylpyrazine (natural)
  • AI3-60303
  • CCRIS 2929
  • EINECS 204-618-3
  • FEMA No. 3272
  • NSC 49139
  • Pyrazine, 2,5-dimethyl-
  • UNII-V99Y0MUY1Q

Systematic Names

  • 2,5-Dimethylpyrazine
  • Pyrazine, 2,5-dimethyl-

Superlist Name

  • 2,5-Dimethylpyrazine

Registry Numbers

CAS Registry Number

  • 123-32-0

FDA UNII

  • V99Y0MUY1Q

System Generated Number

  • 0000123320

Structure Descriptors

InChI

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

InChIKey

LCZUOKDVTBMCMX-UHFFFAOYSA-N

Smiles

c1(cnc(C)cn1)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1350mg/kg (1350mg/kg)   Toxicology and Applied Pharmacology. Vol. 17, Pg. 244, 1970.
rat LD50 oral 1020mg/kg (1020mg/kg)   Drug and Chemical Toxicology. Vol. 3, Pg. 249, 1980.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 15 deg C   EXP
Boiling Point 155 deg C   EXP
pKa Dissociation Constant 1.85 (none) 27 EXP
log P (octanol-water) 0.63 (none)   EXP
Water Solubility 3.20E+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 1.01E-12 cm3/molecule-sec 25 EST

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