AromaDb: A Database of Plant's Aroma Molecules

2-Acetyl-3-ethyl-1,4-diazine Details

: IUPAC Name
2-Acetyl-3-ethylpyrazine
:Chemical Class
:CAS Registry Number
32974-92-8
:Description

:Fragrance Type
potato

Physical and Chemical properties

PUBCHEM ID61918
Molecular Weight (mg/mol)150.182
Molecular FormulaC8H10N2O
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
IUPAC Name2-Acetyl-3-ethylpyrazine
Canonical SMILESCCc1nccnc1C(C)=O
PUBCHEM IUPAC INCHIKEYPPJSYGVFDJEMRP-UHFFFAOYSA-N
Solubility Level4
Vapour Pressure-2.074

Absorption and Metabolism information

XLOGP3 AANA
CACTVS TPSA29.96
BBB Level3
Absorption Level0
EXT PPB#Prediction0
AlogP980.646
EXT CYP2D6#Prediction0

Toxicological Information

Mouse Female FDASingle-Carcinogen
Mouse Male FDAMulti-Carcinogen
Rat Female FDANon-Carcinogen
Rat Male FDANon-Carcinogen
Ames PredictionNon-Mutagen
Developmental / Reproductive ToxicityNon-Toxic
Rat Oral LD500.768383
Ocular IrritancySevere
Hepatotoxic#Prediction0
Effected Human GenesNA

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 32974-92-8
2 32974-92-8
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 32974-92-8 2-Acetyl-3-ethyl-1,4-diazine

Compound Image


2D Structure

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