AromaDb: A Database of Plant's Aroma Molecules

MethylN-acetylanthranilate Details

: IUPAC Name
methyl 2-acetamidobenzoate
:Chemical Class
:CAS Registry Number
06-08-19
:Description

:Fragrance Type
Fruity grape aroma??

Physical and Chemical properties

PUBCHEM ID17623
Molecular Weight (mg/mol)193.205
Molecular FormulaC10H11NO3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
IUPAC Namemethyl 2-acetamidobenzoate
Canonical SMILESCOC(=O)c1ccccc1NC(C)=O
PUBCHEM IUPAC INCHIKEYUYQKZKVNYKOXHG-UHFFFAOYSA-N
Solubility Level4
Vapour Pressure-5.121

Absorption and Metabolism information

XLOGP3 AA1.6
CACTVS TPSA55.4
BBB Level3
Absorption Level0
EXT PPB#Prediction0
AlogP980.805
EXT CYP2D6#Prediction0

Toxicological Information

Mouse Female FDANon-Carcinogen
Mouse Male FDASingle-Carcinogen
Rat Female FDAMulti-Carcinogen
Rat Male FDAMulti-Carcinogen
Ames PredictionNon-Mutagen
Developmental / Reproductive ToxicityNon-Toxic
Rat Oral LD509.20732
Ocular IrritancyNone
Hepatotoxic#Prediction0
Effected Human GenesNA

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 06-08-19
2 06-08-19 NA NA NA NA NA
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 06-08-19 MethylN-acetylanthranilate

Compound Image


2D Structure

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