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2-Isopropyl-3-Methoxy Pyrazine Details

: IUPAC Name
3-methoxy-5-methyl-2-propan-2-ylpyrazine
:Chemical Class
:CAS Registry Number
56343-37-4
:Description

:Fragrance Type

Physical and Chemical properties

PUBCHEM ID44327976
Molecular Weight (mg/mol)166.22
Molecular FormulaC9H14N2O
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
IUPAC Name3-methoxy-5-methyl-2-propan-2-ylpyrazine
Canonical SMILESCOc1nc(C)cnc1C(C)C
PUBCHEM IUPAC INCHIKEYVALFOZLZVWSAPI-UHFFFAOYSA-N
Solubility Level3
Vapour Pressure

Absorption and Metabolism information

XLOGP3 AA1.6
CACTVS TPSA35
BBB Level2
Absorption Level0
EXT PPB#Prediction1
AlogP981.746
EXT CYP2D6#Prediction0

Toxicological Information

Mouse Female FDANon-Carcinogen
Mouse Male FDAMulti-Carcinogen
Rat Female FDASingle-Carcinogen
Rat Male FDAMulti-Carcinogen
Ames PredictionNon-Mutagen
Developmental / Reproductive ToxicityNon-Toxic
Rat Oral LD500.340893 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 56343-37-4
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 56343-37-4 2-Isopropyl-3-Methoxy Pyrazine

Compound Image


2D Structure

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