AromaDb: A Database of Plant's Aroma Molecules

Cyclohexylmethyl pyrazine Details

: IUPAC Name
NA
:Chemical Class
:CAS Registry Number
28217-92-7
:Description

:Fragrance Type
musty aroma

Physical and Chemical properties

PUBCHEM ID16204532
Molecular Weight (mg/mol)176.263
Molecular FormulaC11H16N2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count1
IUPAC Name
Canonical SMILESc2cnc(CC1CCCCC1)cn2
PUBCHEM IUPAC INCHIKEYDGJZDAIWCSVZBI-UHFFFAOYSA-N
Solubility Level3
Vapour Pressure-2.223

Absorption and Metabolism information

XLOGP3 AANA
CACTVS TPSA0
BBB Level1
Absorption Level0
EXT PPB#Prediction0
AlogP982.183
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 LD500.904277
Ocular IrritancySevere
Hepatotoxic#Prediction0
Effected Human GenesNA

Ecological Information

Aerobic Biodegradability PredictionNon-Degradable

Hazard(s) Identification

Physical hazardsnot classified
Health hazards Moderate
Environmental hazardsnot classified
About Table Headings

Compound Biological Activity

Serial No.Cas No Gene SymbolOrganismInteraction Interaction ActionsPubMed Id
1 28217-92-7
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 28217-92-7 Cyclohexylmethyl pyrazine

Compound Image


2D Structure

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