AromaDb: A Database of Plant's Aroma Molecules

1-Amino-2-phenylethane Details

: IUPAC Name
Phenethylamine
:Chemical Class
Alkane
:CAS Registry Number
71-00-1
:Description

:Fragrance Type
fishy

Physical and Chemical properties

PUBCHEM ID1001
Molecular Weight (mg/mol)121.183
Molecular FormulaC6H9N3O2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
IUPAC NamePhenethylamine
Canonical SMILESNCCc1ccccc1
PUBCHEM IUPAC INCHIKEYHNDVDQJCIGZPNO-YFKPBYRVSA-N
Solubility Level4
Vapour Pressure-7.941

Absorption and Metabolism information

XLOGP3 AANA
CACTVS TPSA26.02
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 71-00-1
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 71-00-1 1-Amino-2-phenylethane

Compound Image


2D Structure

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