Ethyl-dimethyl-octadec-9-enylazanium (CED0284312)

Record Information
Version1.0
Creation Date2026-08-30 15:23:06 UTC
Update Date2026-08-30 15:23:06 UTC
SynCED IDCED0284312
Secondary Accession Numbers
  • CHEM329726
Identification
Common NameEthyl-dimethyl-octadec-9-enylazanium
ClassSmall Molecule
Description
Ethyl-dimethyl-octadec-9-enylazanium is a chemical compound with the formula $\text{C}_{22}\text{H}_{46}\text{N}^+$ and an average molecular weight of 324.60 g/mol. It has been identified in or released from one recorded source, which consists of household cleaning and consumer products specifically categorized as bleaching agents.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC22H46N+
Average Molecular MassNot Available
Monoisotopic Mass324.363 g/mol
CAS Registry Number45273-65-2
IUPAC NameNot Available
Traditional NameNot Available
SMILESCCCCCCCCC=CCCCCCCCC[N+](C)(C)CC
InChI IdentifierInChI=1S/C22H46N/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(3,4)6-2/h13-14H,5-12,15-22H2,1-4H3/q+1
InChI KeyWABIMBGBOXIAEH-UHFFFAOYSA-N
Chemical Taxonomy
ClassificationNot classified
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 PropertiesNot Available
Spectra
SpectraNot Available
Toxicity Profile
Toxicity Values
Toxicity ValueOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalToxicity RatingReference
247.0 Log mg/kg [140:440]RatLD50oralpredictedNot AvailableNot Available
Toxicity / Toxin ClassNot Available
Mechanism of ToxicityNot Available
Carcinogenicity (IARC Classification)Not Available
Minimum Risk LevelNot Available
SymptomsNot Available
TreatmentNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
CEDs000233Brushes?Brushes used in personal care and cosmetics can be a source of synthetic chemical contamination due to the materials and coatings used in their manufacturing.Personal care & cosmeticsNot Available
CEDs000555Bleaching Agents?Bleaching agents are chemical substances used to whiten or lighten materials, often employed in various cleaning products for their stain removal and disinfecting properties.Household cleaning & consumer productsNot Available
CEDs000581Paper Making Machines?Paper making machines utilize various synthetic chemicals throughout the production process, including additives, coatings, and bleaching agents.Industrial manufacturing & chemical processingNot Available
CEDs000650Purses Luggage Hand Bags?Purses, luggage, and handbags are often manufactured using synthetic materials such as polyvinyl chloride (PVC), polyurethane, and various types of nylon.Textiles, leather & furnishingsNot Available
CEDs000730Contact Lens Cases?Contact lens cases are small containers designed to store contact lenses in a sterile environment, typically made from various synthetic materials including plastics such as polypropylene or polycarbonate.Healthcare, pharmaceuticals & veterinary productsNot Available
CEDs000740Paper?Paper production involves the processing of wood fibers and the use of various chemicals, which can lead to synthetic chemical contamination.Paper, pulp & fiber productsNot Available
Pathways
0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Click to view 3D structureSodium- and chloride-dependent creatine transporter 1P28570Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.483
Applicability Domain
0.483
Statistical Significance
1.00e-05
Supporting Reference Compounds
1
E-value
0.0778492
Click to view 3D structurePhospholipase BQ9P8P2Cryptococcus neoformansPredicted (SEA)
Prediction Confidence Score
0.423
Applicability Domain
0.423
Statistical Significance
2.00e-05
Supporting Reference Compounds
1
E-value
0.155698
Peroxisome proliferator-activated receptor gamma structureClick to view 3D structurePeroxisome proliferator-activated receptor gammaP37231HumansPredicted (SEA)
Prediction Confidence Score
0.409
Applicability Domain
0.438
Statistical Significance
0.0029
Supporting Reference Compounds
192
E-value
22.3427
Peroxisome proliferator-activated receptor alpha structureClick to view 3D structurePeroxisome proliferator-activated receptor alphaQ07869HumansPredicted (SEA)
Prediction Confidence Score
0.409
Applicability Domain
0.438
Statistical Significance
0.0024
Supporting Reference Compounds
127
E-value
19.0731
Peroxisome proliferator-activated receptor delta structureClick to view 3D structurePeroxisome proliferator-activated receptor deltaQ03181HumansPredicted (SEA)
Prediction Confidence Score
0.409
Applicability Domain
0.438
Statistical Significance
0.0016
Supporting Reference Compounds
89
E-value
12.7673
Transient receptor potential cation channel subfamily V member 2 structureClick to view 3D structureTransient receptor potential cation channel subfamily V member 2Q9WUD2Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.388
Applicability Domain
0.438
Statistical Significance
9.80e-04
Supporting Reference Compounds
21
E-value
7.62922
Click to view 3D structureStreptokinase AP10520Streptococcus pyogenes serotype M1Predicted (SEA)
Prediction Confidence Score
0.385
Applicability Domain
0.708
Statistical Significance
0.0023
Supporting Reference Compounds
425
E-value
18.061
Click to view 3D structureCannabinoid receptor 1P20272Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.361
Applicability Domain
0.438
Statistical Significance
0.0031
Supporting Reference Compounds
83
E-value
24.5225
Click to view 3D structureFatty-acid amide hydrolase 1O00519HumansPredicted (SEA)
Prediction Confidence Score
0.358
Applicability Domain
0.438
Statistical Significance
0.0044
Supporting Reference Compounds
106
E-value
34.098
Cannabinoid receptor 1 structureClick to view 3D structureCannabinoid receptor 1P21554HumansPredicted (SEA)
Prediction Confidence Score
0.33
Applicability Domain
0.359
Statistical Significance
0.0084
Supporting Reference Compounds
200
E-value
65.7826
Fatty-acid amide hydrolase 1 structureClick to view 3D structureFatty-acid amide hydrolase 1P97612Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.327
Applicability Domain
0.333
Statistical Significance
0.0049
Supporting Reference Compounds
102
E-value
38.224
Transient receptor potential cation channel subfamily V member 1 structureClick to view 3D structureTransient receptor potential cation channel subfamily V member 1Q8NER1HumansPredicted (SEA)
Prediction Confidence Score
0.325
Applicability Domain
0.359
Statistical Significance
0.0053
Supporting Reference Compounds
104
E-value
41.1044
Tyrosine-protein phosphatase non-receptor type 1 structureClick to view 3D structureTyrosine-protein phosphatase non-receptor type 1P18031HumansPredicted (SEA)
Prediction Confidence Score
0.325
Applicability Domain
0.438
Statistical Significance
0.0054
Supporting Reference Compounds
197
E-value
42.2721
Cannabinoid receptor 2 structureClick to view 3D structureCannabinoid receptor 2P34972HumansPredicted (SEA)
Prediction Confidence Score
0.324
Applicability Domain
0.359
Statistical Significance
0.0085
Supporting Reference Compounds
175
E-value
65.8604
Click to view 3D structureCannabinoid receptor 1P47746Mus musculusPredicted (SEA)
Prediction Confidence Score
0.32
Applicability Domain
0.361
Statistical Significance
0.0022
Supporting Reference Compounds
42
E-value
17.1268
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 structureClick to view 3D structure1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1P08487Bos taurusPredicted (SEA)
Prediction Confidence Score
0.317
Applicability Domain
0.341
Statistical Significance
6.10e-04
Supporting Reference Compounds
3
E-value
4.7488
Click to view 3D structureCannabinoid receptor 2P47936Mus musculusPredicted (SEA)
Prediction Confidence Score
0.304
Applicability Domain
0.31
Statistical Significance
0.0033
Supporting Reference Compounds
39
E-value
25.9238
Fatty acid-binding protein, adipocyte structureClick to view 3D structureFatty acid-binding protein, adipocyteP15090HumansPredicted (SEA)
Prediction Confidence Score
0.304
Applicability Domain
0.438
Statistical Significance
0.0012
Supporting Reference Compounds
19
E-value
9.34191
Click to view 3D structureLysophosphatidic acid receptor 3Q9UBY5HumansPredicted (SEA)
Prediction Confidence Score
0.3
Applicability Domain
0.351
Statistical Significance
0.0014
Supporting Reference Compounds
21
E-value
10.6653
Lysophosphatidic acid receptor 2 structureClick to view 3D structureLysophosphatidic acid receptor 2Q9HBW0HumansPredicted (SEA)
Prediction Confidence Score
0.293
Applicability Domain
0.351
Statistical Significance
0.0013
Supporting Reference Compounds
30
E-value
10.0426
Click to view 3D structureCannabinoid receptor 2Q9QZN9Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.292
Applicability Domain
0.31
Statistical Significance
0.0011
Supporting Reference Compounds
20
E-value
8.32987
Click to view 3D structureLysophosphatidic acid receptor 4Q8BLG2Mus musculusPredicted (SEA)
Prediction Confidence Score
0.292
Applicability Domain
0.292 Low confidence
Statistical Significance
9.60e-04
Supporting Reference Compounds
1
E-value
7.47353
Monoglyceride lipase structureClick to view 3D structureMonoglyceride lipaseQ99685HumansPredicted (SEA)
Prediction Confidence Score
0.285
Applicability Domain
0.333
Statistical Significance
0.0073
Supporting Reference Compounds
76
E-value
56.6742
Click to view 3D structureEsteraseA3QR02Chilo suppressalisPredicted (SEA)
Prediction Confidence Score
0.282
Applicability Domain
0.282 Low confidence
Statistical Significance
6.00e-04
Supporting Reference Compounds
1
E-value
4.67095
All-trans-retinol dehydrogenase [NAD(+)] ADH7 structureClick to view 3D structureAll-trans-retinol dehydrogenase [NAD(+)] ADH7P40394HumansPredicted (SEA)
Prediction Confidence Score
0.281
Applicability Domain
0.281 Low confidence
Statistical Significance
5.70e-04
Supporting Reference Compounds
1
E-value
4.43741
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available