AromaDb: A Database of Plant's Aroma Molecules

Butyramide Details

: IUPAC Name
:Chemical Class
:CAS Registry Number
541-35-5
:Description

:Fragrance Type
nutty

Physical and Chemical properties

PUBCHEM ID10927
Molecular Weight (mg/mol)87.123
Molecular FormulaC4H9NO
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
IUPAC Name
Canonical SMILESCCCC(N)=O
PUBCHEM IUPAC INCHIKEYDNSISZSEWVHGLH-UHFFFAOYSA-N
Solubility Level4
Vapour Pressure-2.466

Absorption and Metabolism information

XLOGP3 AANA
CACTVS TPSA20.23
BBB Level3
Absorption Level0
EXT PPB#Prediction0
AlogP980.291
EXT CYP2D6#Prediction0

Toxicological Information

Mouse Female FDASingle-Carcinogen
Mouse Male FDAMulti-Carcinogen
Rat Female FDAMulti-Carcinogen
Rat Male FDAMulti-Carcinogen
Ames PredictionNon-Mutagen
Developmental / Reproductive ToxicityToxic
Rat Oral LD501.48425
Ocular IrritancyModerate
Hepatotoxic#Prediction1
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
1 541-35-5 NA NA NA NA NA
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 541-35-5 Butyramide

Compound Image


2D Structure

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