9-Octadecen-1-amine (CED0004393)

Record Information
Version1.0
Creation Date2016-05-19 03:04:54 UTC
Update Date2026-08-20 01:40:11 UTC
Accession NumberCHEM009433
Identification
Common Name9-Octadecen-1-amine
ClassSmall Molecule
Description
9-Octadecen-1-amine is an organic nitrogen compound with the chemical formula C18H37N and an average molecular weight of 267.50 g/mol. 9-Octadecen-1-amine belongs to the amines, a subclass of organonitrogen compounds within the organic compounds. In industrial applications, the compound serves several roles, acting as an anti-static agent, an emulsifier, a dispersing agent, and a corrosion inhibitor. Additionally, it is used as a non-aqueous wetting agent. The compound is associated with 13 recorded sources across various sectors. Within electrical and electronic equipment, it is found in antennas, coils, cores yokes or armatures, gas filled discharge tubes with solid cathode, discharge tubes with liquid pool cathodes, and four other sources. In the building and construction sector, it is found in ceilings. Its presence is also recorded in household items such as coins and in household cleaning and consumer products, specifically pipe accessories. Furthermore, it is associated with the preparation of malt within food, food processing, and cookware.
Contaminant TypeNot Available
Chemical Structure
Synonyms
ValueSource
AmF 355MeSH
N-cis-9-OctadecenylamineMeSH
Oleylamine phosphate (1:1)MeSH
1-Octadeceneamine hydrofluorideMeSH
Oleylamine acetate, (Z)-isomerMeSH
Oleylamine acetateMeSH
Amine fluoride 335MeSH
9-Octadecen-1-amineMeSH
Oleylamine phosphate (1:1), (Z)-isomerMeSH
OleamineMeSH
Oleylamine hydrochloride, (Z)-isomerMeSH
OleoylamineMeSH
Oleylamine hydrofluorideMeSH
Oleylamine, (e)-isomerMeSH
Oleylamine, (Z)-isomerMeSH
Oleylamine hydrofluoride, (Z)-isomerMeSH
OleylamineMeSH
Chemical FormulaC18H37N
Average Molecular Mass267.501 g/mol
Monoisotopic Mass267.293 g/mol
CAS Registry Number112-90-3
IUPAC Name(9Z)-octadec-9-en-1-amine
Traditional Nameoleylamine
SMILES[H]\C(CCCCCCCC)=C(/[H])CCCCCCCCN
InChI IdentifierInChI=1S/C18H37N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h9-10H,2-8,11-19H2,1H3/b10-9-
InChI KeyQGLWBTPVKHMVHM-KTKRTIGZSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as monoalkylamines. These are organic compounds containing an primary aliphatic amine group.
KingdomOrganic compounds
Super ClassOrganic nitrogen compounds
ClassOrganonitrogen compounds
Sub ClassAmines
Direct ParentMonoalkylamines
Alternative Parents
Substituents
  • Organopnictogen compound
  • Hydrocarbon derivative
  • Primary aliphatic amine
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External DescriptorsNot Available
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Organoleptic EffectsNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted Properties
PropertyValueSource
Water Solubility4.0e-05 g/LALOGPS
logP7.51ALOGPS
logP6.56ChemAxon
logS-6.8ALOGPS
pKa (Strongest Basic)10.21ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count1ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area26.02 ŲChemAxon
Rotatable Bond Count15ChemAxon
Refractivity89.32 m³·mol⁻¹ChemAxon
Polarizability37.56 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityNoChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Spectra
Spectra
Spectrum TypeDescriptionSplash KeyDeposition DateView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0gb9-0190000000-f194b26f730102784658Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0udi-6890000000-671d24a665dcdb607211Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-052f-9610000000-b675aae3ec6c265dcc9cNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-014i-0090000000-2e7d9ef7639d73cbeb30Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-014i-0090000000-88dfc91b3533e093b67dNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-009m-7690000000-6e446f0d3e08c97faa70Not AvailableView Spectrum
Toxicity Profile
Mechanism of ToxicityNot Available
Carcinogenicity (IARC Classification)Not Available
Minimum Risk LevelNot Available
SymptomsNot Available
TreatmentNot Available
Toxicity Values
Toxicity ValueUnitValue RangeOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalReference
1046.0Log mg/kg[590:1900]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
490Personal care & cosmeticsNot Available
495CeilingsBuilding & ConstructionNot Available
506AntennasElectrical & Electronic EquipmentNot Available
508CoilsElectrical & Electronic EquipmentNot Available
513Cores Yokes Or ArmaturesElectrical & Electronic EquipmentNot Available
515Discharge Tubes With Liquid Pool CathodesElectrical & Electronic EquipmentNot Available
523Gas Filled Discharge Tubes With Solid CathodeElectrical & Electronic EquipmentNot Available
527MagnetsElectrical & Electronic EquipmentNot Available
529Power CablesElectrical & Electronic EquipmentNot Available
536Superconductive Or Hyperconductive Conductors Cables Or Transmission LinesElectrical & Electronic EquipmentNot Available
538Thin Magnetic FilmsElectrical & Electronic EquipmentNot Available
547Preparation Of MaltFood, food processing & cookwareNot Available
562Pipe AccessoriesHousehold cleaning & consumer productsNot Available
571CoinsHousehold itemsNot Available
578Making CigarsIndustrial manufacturing & chemical processingNot Available
579Manufacture Of Iron Or SteelIndustrial manufacturing & chemical processingNot Available
597ChemosterilantsAgriculture & land managementNot Available
607Rodenticides(1)Agriculture & land managementNot Available
608RodenticidesAgriculture & land managementNot Available
612Body Washing Or Cleaning ImplementsPersonal care & cosmeticsNot Available
619Manicure PedicurePersonal care & cosmeticsNot Available
631Anthraquinone DyesTextiles, leather & furnishingsNot Available
635ButtonsTextiles, leather & furnishingsNot Available
638Decorating TextilesTextiles, leather & furnishingsNot Available
639Degreasing LeatherTextiles, leather & furnishingsNot Available
640Embroidering And TuftingTextiles, leather & furnishingsNot Available
641Foam DyeingTextiles, leather & furnishingsNot Available
647Multicolour DyeingTextiles, leather & furnishingsNot Available
653SewingTextiles, leather & furnishingsNot Available
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Peroxisome proliferator-activated receptor gamma structureClick to view 3D structurePeroxisome proliferator-activated receptor gammaP37231HumansPredicted (SEA)10.7432
Peroxisome proliferator-activated receptor alpha structureClick to view 3D structurePeroxisome proliferator-activated receptor alphaQ07869HumansPredicted (SEA)10.821
Peroxisome proliferator-activated receptor delta structureClick to view 3D structurePeroxisome proliferator-activated receptor deltaQ03181HumansPredicted (SEA)7.62922
Click to view 3D structureTransient receptor potential cation channel subfamily V member 2Q9WUD2Rattus norvegicusPredicted (SEA)4.43741
Click to view 3D structureCannabinoid receptor 1P20272Rattus norvegicusPredicted (SEA)15.9591
Click to view 3D structureFatty-acid amide hydrolase 1O00519HumansPredicted (SEA)17.5161
Tyrosine-protein phosphatase non-receptor type 1 structureClick to view 3D structureTyrosine-protein phosphatase non-receptor type 1P18031HumansPredicted (SEA)19.9294
Cannabinoid receptor 1 structureClick to view 3D structureCannabinoid receptor 1P21554HumansPredicted (SEA)35.1878
Click to view 3D structureFatty-acid amide hydrolase 1P97612Rattus norvegicusPredicted (SEA)20.3186
Transient receptor potential cation channel subfamily V member 1 structureClick to view 3D structureTransient receptor potential cation channel subfamily V member 1Q8NER1HumansPredicted (SEA)21.6421
Cannabinoid receptor 2 structureClick to view 3D structureCannabinoid receptor 2P34972HumansPredicted (SEA)35.9663
Click to view 3D structureCannabinoid receptor 1P47746Mus musculusPredicted (SEA)11.2881
Click to view 3D structure1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1P08487Bos taurusPredicted (SEA)2.10193
Fatty acid-binding protein, adipocyte structureClick to view 3D structureFatty acid-binding protein, adipocyteP15090HumansPredicted (SEA)4.28171
Click to view 3D structureCannabinoid receptor 2P47936Mus musculusPredicted (SEA)16.7376
Click to view 3D structureLysophosphatidic acid receptor 3Q9UBY5HumansPredicted (SEA)5.99439
Click to view 3D structureCannabinoid receptor 2Q9QZN9Rattus norvegicusPredicted (SEA)5.68299
All-trans-retinol dehydrogenase [NAD(+)] ADH7 structureClick to view 3D structureAll-trans-retinol dehydrogenase [NAD(+)] ADH7P40394HumansPredicted (SEA)1.79053
Lysophosphatidic acid receptor 2 structureClick to view 3D structureLysophosphatidic acid receptor 2Q9HBW0HumansPredicted (SEA)6.30579
Click to view 3D structurePhospholipase BQ9P8P2Cryptococcus neoformansPredicted (SEA)0.389246
Monoglyceride lipase structureClick to view 3D structureMonoglyceride lipaseQ99685HumansPredicted (SEA)22.732
Click to view 3D structureLysophosphatidic acid receptor 4Q8BLG2Mus musculusPredicted (SEA)5.0602
Click to view 3D structureEsteraseA3QR02Chilo suppressalisPredicted (SEA)2.72472
Click to view 3D structureFatty-acid amide hydrolase 1O08914Mus musculusPredicted (SEA)28.0257
Lysophosphatidic acid receptor 1 structureClick to view 3D structureLysophosphatidic acid receptor 1Q92633HumansPredicted (SEA)9.34191
Concentrations
Not Available
External Links
DrugBank IDNot Available
HMDB IDNot Available
FooDB IDNot Available
Phenol Explorer IDNot Available
KNApSAcK IDNot Available
BiGG IDNot Available
BioCyc IDNot Available
METLIN IDNot Available
PDB IDNot Available
Wikipedia LinkOleylamine
Chemspider IDNot Available
ChEBI IDNot Available
PubChem Compound ID5356789
Kegg Compound IDNot Available
YMDB IDNot Available
ECMDB IDNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General References