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2-Ethyl-5-Methylpyrazine Details

: IUPAC Name
2-ethyl-5-methylpyrazine
:Chemical Class
:CAS Registry Number
13360-64-0
:Description

:Fragrance Type
grass

Physical and Chemical properties

PUBCHEM ID25915
Molecular Weight (mg/mol)122.168
Molecular FormulaC7H10N2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
IUPAC Name2-ethyl-5-methylpyrazine
Canonical SMILESCCc1cnc(C)cn1
PUBCHEM IUPAC INCHIKEYOXCKCFJIKRGXMM-UHFFFAOYSA-N
Solubility Level4
Vapour Pressure

Absorption and Metabolism information

XLOGP3 AA1
CACTVS TPSA25.8
BBB Level2
Absorption Level0
EXT PPB#Prediction0
AlogP980.76
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 LD500.778925 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 13360-64-0
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 13360-64-0 2-Ethyl-5-Methylpyrazine

Compound Image


2D Structure

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(External database - ChemAxon)