AromaDb: A Database of Plant's Aroma Molecules

2,3-Diethyl-1,4-diazine Details

: IUPAC Name
2,3-Diethylpyrazine
:Chemical Class
:CAS Registry Number
5910-89-4
:Description

:Fragrance Type
baked potato

Physical and Chemical properties

PUBCHEM ID22201
Molecular Weight (mg/mol)108.144
Molecular FormulaC6H8N2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
IUPAC Name2,3-Diethylpyrazine
Canonical SMILESCc1nccnc1C
PUBCHEM IUPAC INCHIKEYOXQOBQJCDNLAPO-UHFFFAOYSA-N
Solubility Level4
Vapour Pressure-0.105

Absorption and Metabolism information

XLOGP3 AANA
CACTVS TPSA58.92
BBB Level4
Absorption Level1
EXT PPB#Prediction0
AlogP980.093
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 ToxicityToxic
Rat Oral LD500.903056
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 5910-89-4
2 5910-89-4
3 5910-89-4
4 5910-89-4
5 5910-89-4
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 5910-89-4 2,3-Diethyl-1,4-diazine

Compound Image


2D Structure

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