AromaDb: A Database of Plant's Aroma Molecules

Caramel pyrazine Details

: IUPAC Name
Isopropenylpyrazine
:Chemical Class
:CAS Registry Number
38713-41-6
:Description

:Fragrance Type
nutty

Physical and Chemical properties

PUBCHEM ID62897
Molecular Weight (mg/mol)120.155
Molecular FormulaC7H8N2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
IUPAC NameIsopropenylpyrazine
Canonical SMILESC=C(C)c1cnccn1
PUBCHEM IUPAC INCHIKEYJMKUTMOIKCXELD-UHFFFAOYSA-N
Solubility Level4
Vapour Pressure

Absorption and Metabolism information

XLOGP3 AANA
CACTVS TPSA9.23
BBB Level2
Absorption Level0
EXT PPB#Prediction0
AlogP980.955
EXT CYP2D6#Prediction0

Toxicological Information

Mouse Female FDASingle-Carcinogen
Mouse Male FDAMulti-Carcinogen
Rat Female FDAMulti-Carcinogen
Rat Male FDAMulti-Carcinogen
Ames PredictionNon-Mutagen
Developmental / Reproductive ToxicityNon-Toxic
Rat Oral LD501.46628
Ocular IrritancySevere
Hepatotoxic#Prediction1
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 38713-41-6
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 38713-41-6 Caramel pyrazine

Compound Image


2D Structure

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