AromaDb: A Database of Plant's Aroma Molecules

Butylamine Details

: IUPAC Name
:Chemical Class
:CAS Registry Number
109-73-9
:Description

:Fragrance Type
Ammoniacal aroma??

Physical and Chemical properties

PUBCHEM ID8007
Molecular Weight (mg/mol)73.139
Molecular FormulaC4H11N
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
IUPAC Name
Canonical SMILESCCCCN
PUBCHEM IUPAC INCHIKEYHQABUPZFAYXKJW-UHFFFAOYSA-N
Solubility Level4
Vapour Pressure-7.141

Absorption and Metabolism information

XLOGP3 AANA
CACTVS TPSA37.29
BBB Level2
Absorption Level0
EXT PPB#Prediction0
AlogP980.681
EXT CYP2D6#Prediction0

Toxicological Information

Mouse Female FDANon-Carcinogen
Mouse Male FDAMulti-Carcinogen
Rat Female FDASingle-Carcinogen
Rat Male FDANon-Carcinogen
Ames PredictionNon-Mutagen
Developmental / Reproductive ToxicityToxic
Rat Oral LD500.345315
Ocular IrritancySevere
Hepatotoxic#Prediction0
Effected Human GenesNA

Ecological Information

Aerobic Biodegradability PredictionDegradable

Hazard(s) Identification

Physical hazardsnot classified
Health hazards Mild
Environmental hazardsnot classified
About Table Headings

Compound Biological Activity

Serial No.Cas No Gene SymbolOrganismInteraction Interaction ActionsPubMed Id
1 109-73-9 INS Mus musculus [1-Methyl-3-isobutylxanthine co-treated with butylbenzyl phthalate co-treated with INS protein] results in increased abundance of n-butylamine analog affects^cotreatment|increases^abundance 26820058
2 109-73-9 INS Mus musculus [1-Methyl-3-isobutylxanthine co-treated with butylbenzyl phthalate co-treated with INS protein] results in increased abundance of n-butylamine analog affects^cotreatment|increases^abundance 26820058
3 109-73-9 INS Mus musculus [1-Methyl-3-isobutylxanthine co-treated with Dexamethasone co-treated with INS protein] results in increased abundance of n-butylamine analog affects^cotreatment|increases^abundance 26820058
4 109-73-9 INS Mus musculus [1-Methyl-3-isobutylxanthine co-treated with Dexamethasone co-treated with INS protein] results in increased abundance of n-butylamine analog affects^cotreatment|increases^abundance 26820058
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 109-73-9 Butylamine

Compound Image


2D Structure

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