AromaDb: A Database of Plant's Aroma Molecules

Conyrine Details

: IUPAC Name
2-Propylpyridine
:Chemical Class
:CAS Registry Number
622-39-9
:Description

:Fragrance Type
nutty aroma??

Physical and Chemical properties

PUBCHEM ID69320
Molecular Weight (mg/mol)121.183
Molecular FormulaC8H11N
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
IUPAC Name2-Propylpyridine
Canonical SMILESCCCc1ccccn1
PUBCHEM IUPAC INCHIKEYOIALIKXMLIAOSN-UHFFFAOYSA-N
Solubility Level3
Vapour Pressure

Absorption and Metabolism information

XLOGP3 AANA
CACTVS TPSA9.23
BBB Level1
Absorption Level0
EXT PPB#Prediction0
AlogP982.085
EXT CYP2D6#Prediction0

Toxicological Information

Mouse Female FDAMulti-Carcinogen
Mouse Male FDASingle-Carcinogen
Rat Female FDASingle-Carcinogen
Rat Male FDASingle-Carcinogen
Ames PredictionNon-Mutagen
Developmental / Reproductive ToxicityNon-Toxic
Rat Oral LD502.75517
Ocular IrritancySevere
Hepatotoxic#Prediction0
Effected Human GenesNA

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
1 622-39-9
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 622-39-9 Conyrine

Compound Image


2D Structure

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