AromaDb: A Database of Plant's Aroma Molecules

N,N-Dimethylphenethylamine Details

: IUPAC Name
:Chemical Class
:CAS Registry Number
1126-71-2
:Description

:Fragrance Type
Sweet

Physical and Chemical properties

PUBCHEM ID25125
Molecular Weight (mg/mol)149.237
Molecular FormulaC10H15N
Hydrogen Bond Donor CountNA
Hydrogen Bond Acceptor CountNA
Rotatable Bond CountNA
IUPAC Name
Canonical SMILESCN(C)CCc1ccccc1
PUBCHEM IUPAC INCHIKEYTXOFSCODFRHERQ-UHFFFAOYSA-N
Solubility Level3
Vapour Pressure-0.9

Absorption and Metabolism information

XLOGP3 AANA
CACTVS TPSANA
BBB Level1
Absorption Level0
EXT PPB#Prediction1
AlogP982.224
EXT CYP2D6#Prediction0

Toxicological Information

Mouse Female FDANon-Carcinogen
Mouse Male FDANon-Carcinogen
Rat Female FDANon-Carcinogen
Rat Male FDANon-Carcinogen
Ames PredictionNon-Mutagen
Developmental / Reproductive ToxicityToxic
Rat Oral LD500.683544
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 1126-71-2 NA NA NA NA NA
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 1126-71-2 N,N-Dimethylphenethylamine

Compound Image


2D Structure

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