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Substance Name: Pyrazine
RN: 290-37-9
UNII: 2JKE371789
InChIKey: KYQCOXFCLRTKLS-UHFFFAOYSA-N

Note

  • A heterocyclic aromatic organic compounds with the chemical formula C4H4N2.

Classification Code

  • Mutation Data

Molecular Formula

  • C4-H4-N2

Molecular Weight

  • 80.0896
 
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Names and Synonyms

Name of Substance

  • Pyrazine

MeSH Heading

  • Pyrazines

Synonyms

  • 1,4-Diazabenzene
  • 1,4-Diazine
  • CCRIS 1331
  • EINECS 206-027-6
  • NSC 400221
  • p-Diazine
  • Paradiazine
  • Piazine
  • Pyrazine
  • UNII-2JKE371789

Systematic Name

  • Pyrazine

Registry Numbers

CAS Registry Number

  • 290-37-9

FDA UNII

  • 2JKE371789

Other Registry Number

  • 1339899-95-4

System Generated Number

  • 0000290379

Structure Descriptors

InChI

InChI=1S/C4H4N2/c1-2-6-4-3-5-1/h1-4H

InChIKey

KYQCOXFCLRTKLS-UHFFFAOYSA-N

Smiles

c1cnccn1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 2730mg/kg (2730mg/kg)   Progress in Biochemical Pharmacology. Vol. 1, Pg. 542, 1965.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 55 deg C   EXP
Boiling Point 115 deg C   EXP
pKa Dissociation Constant 0.51 (none) 20 EXP
log P (octanol-water) -0.26 (none)   EXP
Water Solubility 2.18E+05 mg/L 25 EST
Henry's Law Constant 2.92E-06 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.30E-13 cm3/molecule-sec 25 EST

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