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2-Isopropyl-3-Methoxypyrazine Details

: IUPAC Name
2-methoxy-3-propan-2-ylpyrazine
:Chemical Class
:CAS Registry Number
25773-40-4
:Description

:Fragrance Type
grass

Physical and Chemical properties

PUBCHEM ID33166
Molecular Weight (mg/mol)152.194
Molecular FormulaC8H12N2O
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
IUPAC Name2-methoxy-3-propan-2-ylpyrazine
Canonical SMILESCOc1nccnc1C(C)C
PUBCHEM IUPAC INCHIKEYNTOPKICPEQUPPH-UHFFFAOYSA-N
Solubility Level3
Vapour Pressure

Absorption and Metabolism information

XLOGP3 AA
CACTVS TPSA35
BBB Level2
Absorption Level0
EXT PPB#Prediction0
AlogP981.463
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 LD500.425975 g/kg_body_weight
Ocular IrritancySevere
Hepatotoxic#Prediction1
Effected Human Genes

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 25773-40-4 NA NA NA NA NA
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 25773-40-4 2-Isopropyl-3-Methoxypyrazine

Compound Image


2D Structure

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(External database - ChemAxon)