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Substance Name: 2-Methylpyrazine
RN: 109-08-0
UNII: RVC6500U9C
InChIKey: CAWHJQAVHZEVTJ-UHFFFAOYSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C5-H6-N2

Molecular Weight

  • 94.1164
 
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Names and Synonyms

Name of Substance

  • 2-Methylpyrazine

Synonyms

  • 2-Methyl-1,4-diazine
  • 2-Methylpyrazine
  • AI3-36550
  • CCRIS 2927
  • EINECS 203-645-8
  • FEMA No. 3309
  • Methylpyrazine
  • NSC 30412
  • Pyrazine, 2-methyl-
  • Pyrazine, methyl-
  • RTECS UT1218000
  • UNII-RVC6500U9C

Systematic Names

  • 2-Methylpyrazine
  • Methylpyrazine
  • Pyrazine, 2-methyl-
  • Pyrazine, methyl-

Superlist Names

  • 2-Methylpyrazine
  • Methylpyrazine
  • Pyrazine, methyl-

Registry Numbers

CAS Registry Number

  • 109-08-0

FDA UNII

  • RVC6500U9C

System Generated Number

  • 0000109080

Structure Descriptors

InChI

1S/C5H6N2/c1-5-4-6-2-3-7-5/h2-4H,1H3

InChIKey

CAWHJQAVHZEVTJ-UHFFFAOYSA-N

Smiles

c1(cnccn1)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1820mg/kg (1820mg/kg)   Toxicology and Applied Pharmacology. Vol. 17, Pg. 244, 1970.
rat LD50 oral 1800mg/kg (1800mg/kg)   Drug and Chemical Toxicology. Vol. 3, Pg. 249, 1980.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -2.90E+01 deg C   EXP
Boiling Point 137 deg C   EXP
pKa Dissociation Constant 1.45 (none) 27 EXP
log P (octanol-water) 0.21 (none)   EXP
Water Solubility 1.00E+06 mg/L 20 EXP
Henry's Law Constant 2.20E-06 atm-m3/mole 25 EXP
Atmospheric OH Rate Constant 7.36E-13 cm3/molecule-sec 25 EST

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