AromaDb: A Database of Plant's Aroma Molecules

2,6-Dimethylpyrazine Details

: IUPAC Name
2,6-dimethylpyrazine
:Chemical Class
:CAS Registry Number
108-50-9
:Description

:Fragrance Type
coffee

Physical and Chemical properties

PUBCHEM ID7938
Molecular Weight (mg/mol)108.141
Molecular FormulaC6H8N2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
IUPAC Name2,6-dimethylpyrazine
Canonical SMILESCc1cncc(C)n1
PUBCHEM IUPAC INCHIKEYHJFZAYHYIWGLNL-UHFFFAOYSA-N
Solubility Level4
Vapour Pressure-0.065

Absorption and Metabolism information

XLOGP3 AA
CACTVS TPSA25.8
BBB Level4
Absorption Level1
EXT PPB#Prediction0
AlogP980.094
EXT CYP2D6#Prediction0

Toxicological Information

Mouse Female FDAMulti-Carcinogen
Mouse Male FDAMulti-Carcinogen
Rat Female FDAMulti-Carcinogen
Rat Male FDAMulti-Carcinogen
Ames PredictionMutagen
Developmental / Reproductive ToxicityNon-Toxic
Rat Oral LD500.737766 g/kg_body_weight
Ocular IrritancySevere
Hepatotoxic#Prediction1
Effected Human Genes

Ecological Information

Aerobic Biodegradability PredictionNon-Degradable

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
1 108-50-9
2 108-50-9
3 108-50-9
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 108-50-9 2,6-Dimethylpyrazine

Compound Image


2D Structure

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