AromaDb: A Database of Plant's Aroma Molecules

2,5-Dimethyl-1,4-diazine Details

: IUPAC Name
2,5-Dimethylpyrazine
:Chemical Class
:CAS Registry Number
123-32-0
:Description

:Fragrance Type
potato-like

Physical and Chemical properties

PUBCHEM ID31252
Molecular Weight (mg/mol)108.144
Molecular FormulaC6H8N2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count4
IUPAC Name2,5-Dimethylpyrazine
Canonical SMILESCc1cnc(C)cn1
PUBCHEM IUPAC INCHIKEYLCZUOKDVTBMCMX-UHFFFAOYSA-N
Solubility Level4
Vapour Pressure-0.1

Absorption and Metabolism information

XLOGP3 AANA
CACTVS TPSA20.23
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 PredictionNon-Mutagen
Developmental / Reproductive ToxicityNon-Toxic
Rat Oral LD501.04899
Ocular IrritancySevere
Hepatotoxic#Prediction1
Effected Human GenesNA

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
1 123-32-0 NA NA NA NA NA
2 123-32-0 NA NA NA NA NA
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 123-32-0 2,5-Dimethyl-1,4-diazine

Compound Image


2D Structure

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