AromaDb: A Database of Plant's Aroma Molecules

2,3-Diethylpyrazine Details

: IUPAC Name
2,3-diethylpyrazine
:Chemical Class
:CAS Registry Number
15707-24-1
:Description

:Fragrance Type
baked potato

Physical and Chemical properties

PUBCHEM ID27458
Molecular Weight (mg/mol)136.198
Molecular FormulaC8H12N2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
IUPAC Name
Canonical SMILESCCc1nccnc1CC
PUBCHEM IUPAC INCHIKEYGZXXANJCCWGCSV-UHFFFAOYSA-N
Solubility Level4
Vapour Pressure

Absorption and Metabolism information

XLOGP3 AANA
CACTVS TPSA20.23
BBB Level2
Absorption Level0
EXT PPB#Prediction0
AlogP981.427
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 LD501.30665
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 15707-24-1
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 15707-24-1 2,3-Diethylpyrazine

Compound Image


2D Structure

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