AromaDb: A Database of Plant's Aroma Molecules

1-Aminohexane Details

: IUPAC Name
Hexylamine
:Chemical Class
Alkane
:CAS Registry Number
673-06-3
:Description

:Fragrance Type
Fishy aroma

Physical and Chemical properties

PUBCHEM ID8102
Molecular Weight (mg/mol)101.193
Molecular FormulaC9H11NO2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
IUPAC NameHexylamine
Canonical SMILESCCCCCCN
PUBCHEM IUPAC INCHIKEYCOLNVLDHVKWLRT-MRVPVSSYSA-N
Solubility Level4
Vapour Pressure-4.802

Absorption and Metabolism information

XLOGP3 AANA
CACTVS TPSA63.31
BBB Level2
Absorption Level0
EXT PPB#Prediction0
AlogP981.593
EXT CYP2D6#Prediction0

Toxicological Information

Mouse Female FDANon-Carcinogen
Mouse Male FDANon-Carcinogen
Rat Female FDASingle-Carcinogen
Rat Male FDANon-Carcinogen
Ames PredictionNon-Mutagen
Developmental / Reproductive ToxicityToxic
Rat Oral LD500.518253
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
1 673-06-3
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 673-06-3 1-Aminohexane

Compound Image


2D Structure

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