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Substance Name: Methyl pyrazinoate
RN: 6164-79-0
UNII: 90NZ6P9NG2
InChIKey: TWIIRMSFZNYMQE-UHFFFAOYSA-N

Molecular Formula

  • C6-H6-N2-O2

Molecular Weight

  • 138.125
 
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Names and Synonyms

Name of Substance

  • Methyl pyrazinoate

Synonyms

  • EINECS 228-198-6
  • Methyl 2-pyrazinecarboxylate
  • Methyl pyrazinecarboxylate
  • Methyl pyrazinoate
  • NSC 32337
  • Pyrazine-2-carboxylic acid, methyl ester
  • Pyrazinoic acid methyl ester
  • UNII-90NZ6P9NG2

Systematic Names

  • 2-Pyrazinecarboxylic acid, methyl ester
  • Methyl pyrazinecarboxylate
  • Pyrazinecarboxylic acid, methyl ester

Registry Numbers

CAS Registry Number

  • 6164-79-0

FDA UNII

  • 90NZ6P9NG2

System Generated Number

  • 0006164790

Structure Descriptors

InChI

1S/C6H6N2O2/c1-10-6(9)5-4-7-2-3-8-5/h2-4H,1H3

InChIKey

TWIIRMSFZNYMQE-UHFFFAOYSA-N

Smiles

c1(C(=O)OC)nccnc1

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) -0.23 (none)   EXP
Water Solubility 1.34E+05 mg/L 25 EST
Vapor Pressure 0.138 mm Hg 25 EST
Henry's Law Constant 1.88E-08 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.91E-13 cm3/molecule-sec 25 EST

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