(2-Carboxylatoethyl)dimethyl(((perfluorododecyl)-2-hydroxypropyl)amino)propylammonium (CED0170159)

Record Information
Version1.0
Creation Date2026-04-03 06:43:43 UTC
Update Date2026-08-22 00:06:33 UTC
Accession NumberCHEM062406
Identification
Common Name(2-Carboxylatoethyl)dimethyl(((perfluorododecyl)-2-hydroxypropyl)amino)propylammonium
ClassSmall Molecule
Description
(2-Carboxylatoethyl)dimethyl(((perfluorododecyl)-2-hydroxypropyl)amino)propylammonium belongs to the amino acids, peptides, and analogues, a subclass of carboxylic acids and derivatives within the organic compounds. With an average molecular weight of 850.41 g/mol, (2-Carboxylatoethyl)dimethyl(((perfluorododecyl)-2-hydroxypropyl)amino)propylammonium is a heavy molecule. Its chemical formula is C23H23F25N2O3. This compound is found in or released from 13 recorded sources across several sectors. Within electrical and electronic equipment, it is associated with capacitors, cell phones, batteries, printed circuit boards, wires and cables, and one additional source. It is also found in food packaging under the food, food processing and cookware sector, as well as medical devices within healthcare, pharmaceuticals and veterinary products. In the textiles, leather and furnishings sector, it is present in synthetic textiles and carpets and rugs. Additionally, it is used as lubricants in both industrial manufacturing and chemical processing as well as in the energy, oil and gas sectors. One more sector is also recorded as a source. Recorded exposure routes for this substance include inhalation, oral, and touch.
Contaminant Type
  • PFAS
Chemical Structure
SynonymsNot Available
Chemical FormulaC23H23F25N2O3
Average Molecular Mass850.408 g/mol
Monoisotopic Mass850.131 g/mol
CAS Registry Number93776-12-6
IUPAC NameNot Available
Traditional NameNot Available
SMILES[H]N(CCC[N+]([H])(CC)CCC([O-])=O)CC(O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChI IdentifierInChI=1S/C23H23F25N2O3/c1-2-50(7-4-11(52)53)6-3-5-49-9-10(51)8-12(24,25)13(26,27)14(28,29)15(30,31)16(32,33)17(34,35)18(36,37)19(38,39)20(40,41)21(42,43)22(44,45)23(46,47)48/h10,49,51H,2-9H2,1H3,(H,52,53)
InChI KeyZPJOKRFOGKCNBA-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
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
590.0Log mg/kg[330:1000]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
7PesticidesAgriculture & land managementNot Available
120Wires and cablesElectrical & Electronic EquipmentNot Available
121Printed circuit boardsElectrical & Electronic EquipmentNot Available
125BatteriesElectrical & Electronic EquipmentNot Available
130SemiconductorsElectrical & Electronic EquipmentNot Available
138LubricantsEnergy, oil & gasNot Available
147Food packagingFood, food processing & cookwareNot Available
174LubricantsIndustrial manufacturing & chemical processingNot Available
234Medical devicesHealthcare, pharmaceuticals & veterinary productsNot Available
451Carpets and RugsTextiles, leather & furnishingsNot Available
454Synthetic textilesTextiles, leather & furnishingsNot Available
490Personal care & cosmeticsNot Available
492Cell phonesElectrical & Electronic EquipmentNot Available
493CapacitorsElectrical & Electronic EquipmentNot Available
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Click to view 3D structureAcetylpolyamine amidohydrolaseQ48935Mycoplana ramosaPredicted (SEA)6.69503
Click to view 3D structureCAI-1 autoinducer sensor kinase/phosphatase CqsSQ9KM66Vibrio cholerae serotype O1 (strain ATCC 39315 / El Tor Inaba N16961)Predicted (SEA)44.9968
Beta-2 adrenergic receptor structureClick to view 3D structureBeta-2 adrenergic receptorP07550HumansPredicted (SEA)5842.27
Beta-1 adrenergic receptor structureClick to view 3D structureBeta-1 adrenergic receptorP08588HumansPredicted (SEA)5192.85
Beta-3 adrenergic receptor structureClick to view 3D structureBeta-3 adrenergic receptorP13945HumansPredicted (SEA)4652.97
Click to view 3D structureFatty-acid amide hydrolase 1O00519HumansPredicted (SEA)5173.0
Liver carboxylesterase 1 structureClick to view 3D structureLiver carboxylesterase 1P23141HumansPredicted (SEA)1670.49
Click to view 3D structureJuvenile hormone esteraseQ9GPG0Manduca sextaPredicted (SEA)51.3026
Click to view 3D structureCocaine esteraseO00748HumansPredicted (SEA)1323.83
Click to view 3D structureEsteraseA3QR02Chilo suppressalisPredicted (SEA)19.3845
Click to view 3D structureBeta-2 adrenergic receptorP18762Mus musculusPredicted (SEA)411.277
Click to view 3D structureMitochondrial carnitine/acylcarnitine carrier proteinO43772HumansPredicted (SEA)43.1285
Click to view 3D structureAlkaline ceramidase 2Q5QJU3HumansPredicted (SEA)773.276
Click to view 3D structureBeta-2 adrenergic receptorQ8K4Z4Cavia porcellusPredicted (SEA)1935.64
Click to view 3D structureBeta-1 adrenergic receptorB0FL73Cavia porcellusPredicted (SEA)1443.87
Click to view 3D structureLiver carboxylesteraseQ29550Sus scrofaPredicted (SEA)693.792
Click to view 3D structureCG8425-PA [Drosophila melanogaster]A1ZA98Drosophila melanogasterPredicted (SEA)63.1357
Click to view 3D structureFarnesyl diphosphate synthaseQ197X6Toxoplasma gondiiPredicted (SEA)37.1341
Click to view 3D structure5-hydroxytryptamine receptor 1AP19327Rattus norvegicusPredicted (SEA)7219.81
Click to view 3D structureCarnitine O-palmitoyltransferase 2, mitochondrialP23786HumansPredicted (SEA)2359.22
Click to view 3D structureFatty-acid amide hydrolase 1P97612Rattus norvegicusPredicted (SEA)5641.03
Sodium-dependent dopamine transporter structureClick to view 3D structureSodium-dependent dopamine transporterQ01959HumansPredicted (SEA)7545.15
Cytochrome P450 2D6 structureClick to view 3D structureCytochrome P450 2D6P10635HumansPredicted (SEA)7707.77
Voltage-gated inwardly rectifying potassium channel KCNH2 structureClick to view 3D structureVoltage-gated inwardly rectifying potassium channel KCNH2Q12809HumansPredicted (SEA)7715.71
Click to view 3D structureFarnesyl synthetase, putativeQ964Q8Trypanosoma cruziPredicted (SEA)122.846
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available