AromaDb: A Database of Plant's Aroma Molecules

Methyl Pyrazine Details

: IUPAC Name
methyl pyrazine-2-carboxylate
:Chemical Class
:CAS Registry Number
6164-79-0
:Description

:Fragrance Type
peanut butter

Physical and Chemical properties

PUBCHEM ID72662
Molecular Weight (mg/mol)138.124
Molecular FormulaC6H6N2O2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
IUPAC Namemethyl pyrazine-2-carboxylate
Canonical SMILESCOC(=O)c1cnccn1
PUBCHEM IUPAC INCHIKEYTWIIRMSFZNYMQE-UHFFFAOYSA-N
Solubility Level4
Vapour Pressure-1.657

Absorption and Metabolism information

XLOGP3 AA
CACTVS TPSA52.1
BBB Level3
Absorption Level0
EXT PPB#Prediction0
AlogP98-0.188
EXT CYP2D6#Prediction0

Toxicological Information

Mouse Female FDAMulti-Carcinogen
Mouse Male FDAMulti-Carcinogen
Rat Female FDAMulti-Carcinogen
Rat Male FDANon-Carcinogen
Ames PredictionNon-Mutagen
Developmental / Reproductive ToxicityToxic
Rat Oral LD501.89265 g/kg_body_weight
Ocular IrritancyMild
Hepatotoxic#Prediction1
Effected Human Genes

Ecological Information

Aerobic Biodegradability PredictionDegradable

Hazard(s) Identification

Physical hazardsnot classified
Health hazards Mild
Environmental hazardsnot classified
About Table Headings

Compound Biological Activity

Serial No.Cas No Gene SymbolOrganismInteraction Interaction ActionsPubMed Id
1 6164-79-0
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 6164-79-0 Methyl Pyrazine

Compound Image


2D Structure

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