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Substance Name: 2-Acetylpyrazine
RN: 22047-25-2
UNII: GR391IBU5C
InChIKey: DBZAKQWXICEWNW-UHFFFAOYSA-N

Molecular Formula

  • C6-H6-N2-O

Molecular Weight

  • 122.126
 
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Names and Synonyms

Name of Substance

  • 2-Acetylpyrazine

Synonyms

  • 1-Pyrazinylethanone
  • 2-Acetylpyrazine
  • Acetylpyrazine
  • AI3-34445
  • EINECS 244-753-5
  • Ethanone, 1-pyrazinyl-
  • FEMA No. 3126
  • Ketone, methyl pyrazinyl
  • Methyl pyrazinyl ketone
  • NSC 72374
  • UNII-GR391IBU5C

Systematic Names

  • Ethanone, 1-(2-pyrazinyl)-
  • Ethanone, 1-pyrazinyl-
  • Ethanone, l-pyrazinyl-
  • Pyrazin-1-ylethan-1-one

Superlist Name

  • Acetylpyrazine

Registry Numbers

CAS Registry Number

  • 22047-25-2

FDA UNII

  • GR391IBU5C

Other Registry Number

  • 131922-02-6

System Generated Number

  • 0022047252

Structure Descriptors

InChI

1S/C6H6N2O/c1-5(9)6-4-7-2-3-8-6/h2-4H,1H3

InChIKey

DBZAKQWXICEWNW-UHFFFAOYSA-N

Smiles

c1(cnccn1)C(C)=O

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 76-78 deg C   EXP
log P (octanol-water) 0.2 (none)   EXP
Water Solubility 6.65E+04 mg/L 25 EST
Vapor Pressure 0.188 mm Hg 25 EST
Henry's Law Constant 5.31E-09 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 3.12E-13 cm3/molecule-sec 25 EST

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