AromaDb: A Database of Plant's Aroma Molecules

Aminohydrocinnamic acid Details

: IUPAC Name
L-Phenylalanine
:Chemical Class
:CAS Registry Number
640-68-6
:Description

:Fragrance Type
NA

Physical and Chemical properties

PUBCHEM ID994
Molecular Weight (mg/mol)165.194
Molecular FormulaC5H11NO2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count6
IUPAC NameL-Phenylalanine
Canonical SMILESCC(C)[C@@H](N)C(=O)O
PUBCHEM IUPAC INCHIKEYKZSNJWFQEVHDMF-SCSAIBSYSA-N
Solubility Level4
Vapour Pressure-2.846

Absorption and Metabolism information

XLOGP3 AANA
CACTVS TPSA39.44
BBB Level3
Absorption Level0
EXT PPB#Prediction0
AlogP980.874
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 LD500.387167
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
1 640-68-6
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 640-68-6 Aminohydrocinnamic acid

Compound Image


2D Structure

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