AromaDb: A Database of Plant's Aroma Molecules

Cyclohexapyrazine Details

: IUPAC Name
5,6,7,8-Tetrahydroquinoxaline
:Chemical Class
:CAS Registry Number
34413-35-9
:Description

:Fragrance Type
Cheese

Physical and Chemical properties

PUBCHEM ID36822
Molecular Weight (mg/mol)134.182
Molecular FormulaC8H10N2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
IUPAC Name5,6,7,8-Tetrahydroquinoxaline
Canonical SMILESc2cnc1CCCCc1n2
PUBCHEM IUPAC INCHIKEYXCZPDOCRSYZOBI-UHFFFAOYSA-N
Solubility Level4
Vapour Pressure

Absorption and Metabolism information

XLOGP3 AANA
CACTVS TPSA26.3
BBB Level2
Absorption Level0
EXT PPB#Prediction0
AlogP981.056
EXT CYP2D6#Prediction0

Toxicological Information

Mouse Female FDAMulti-Carcinogen
Mouse Male FDAMulti-Carcinogen
Rat Female FDASingle-Carcinogen
Rat Male FDAMulti-Carcinogen
Ames PredictionNon-Mutagen
Developmental / Reproductive ToxicityNon-Toxic
Rat Oral LD500.922657
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 34413-35-9
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 34413-35-9 Cyclohexapyrazine

Compound Image


2D Structure

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