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2-Aminoacetophenone Details

: IUPAC Name
2-amino-1-phenylethanone
:Chemical Class
Ketone
:CAS Registry Number
613-89-8
:Description

:Fragrance Type
almond

Physical and Chemical properties

PUBCHEM ID11952
Molecular Weight (mg/mol)135.163
Molecular FormulaC8H9NO
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
IUPAC Name2-amino-1-phenylethanone
Canonical SMILESNCC(=O)c1ccccc1
PUBCHEM IUPAC INCHIKEYHEQOJEGTZCTHCF-UHFFFAOYSA-N
Solubility Level4
Vapour Pressure-2.226

Absorption and Metabolism information

XLOGP3 AA
CACTVS TPSA43.1
BBB Level3
Absorption Level0
EXT PPB#Prediction1
AlogP980.608
EXT CYP2D6#Prediction0

Toxicological Information

Mouse Female FDANon-Carcinogen
Mouse Male FDAMulti-Carcinogen
Rat Female FDANon-Carcinogen
Rat Male FDANon-Carcinogen
Ames PredictionNon-Mutagen
Developmental / Reproductive ToxicityToxic
Rat Oral LD500.275243 g/kg_body_weight
Ocular IrritancySevere
Hepatotoxic#Prediction1
Effected Human Genes

Ecological Information

Aerobic Biodegradability PredictionDegradable

Hazard(s) Identification

Physical hazardsnot classified
Health hazards None
Environmental hazardsnot classified
About Table Headings

Compound Biological Activity

Serial No.Cas No Gene SymbolOrganismInteraction Interaction ActionsPubMed Id
1 613-89-8 NA NA NA NA NA
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 613-89-8 2-Aminoacetophenone

Compound Image


2D Structure

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(External database - ChemAxon)