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2-Aminoethylbenzene Details

: IUPAC Name
Phenethylamine
:Chemical Class
:CAS Registry Number
56-86-0
:Description

:Fragrance Type
NA

Physical and Chemical properties

PUBCHEM ID1001
Molecular Weight (mg/mol)121.183
Molecular FormulaC5H9NO4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
IUPAC NamePhenethylamine
Canonical SMILESN[C@@H](CCC(=O)O)C(=O)O
PUBCHEM IUPAC INCHIKEYWHUUTDBJXJRKMK-VKHMYHEASA-N
Solubility Level4
Vapour Pressure-7.941

Absorption and Metabolism information

XLOGP3 AANA
CACTVS TPSA100.61
BBB Level2
Absorption Level0
EXT PPB#Prediction0
AlogP981.257
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 LD500.506147
Ocular IrritancySevere
Hepatotoxic#Prediction0
Effected Human GenesNA

Ecological Information

Aerobic Biodegradability PredictionNon-Degradable

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 56-86-0
2 56-86-0
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 56-86-0 2-Aminoethylbenzene

Compound Image


2D Structure

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