(2-Carboxyethyl)-3-((perfluorooctyl)-2-hydroxypropyl)aminopropyldimethylammonium hydroxide (CED0068598)

Record Information

Version

1.0

Creation Date

2026-04-03 06:43:50 UTC

Update Date

2026-08-29 16:41:34 UTC

SynCED ID

CED0068598

Secondary Accession Numbers

CHEM062407

Identification

Common Name

(2-Carboxyethyl)-3-((perfluorooctyl)-2-hydroxypropyl)aminopropyldimethylammonium hydroxide

Class

Small Molecule

Description

(2-Carboxyethyl)-3-((perfluorooctyl)-2-hydroxypropyl)aminopropyldimethylammonium hydroxide belongs to the quaternary ammonium salts, a subclass of organonitrogen compounds within the organic compounds. With an average molecular weight of 650.38 g/mol, (2-Carboxyethyl)-3-((perfluorooctyl)-2-hydroxypropyl)aminopropyldimethylammonium hydroxide is a heavy molecule. This organic nitrogen compound has the chemical formula C19H24F17N2O3. The compound is found in or released from 13 recorded sources across several sectors. Within electrical and electronic equipment, it is associated with cell phones, capacitors, wires and cables, batteries, and printed circuit boards, among one other source. It is also found in textiles, leather and furnishings, specifically in carpets, rugs, and synthetic textiles. Other sources include food packaging from the food, food processing and cookware sector, medical devices from the healthcare, pharmaceuticals and veterinary products sector, and lubricants from both the energy, oil and gas sector as well as the industrial manufacturing and chemical processing sector. One additional sector is also recorded as a source. Recorded exposure routes for this substance include oral, inhalation, and touch.

Contaminant Type

PFAS

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₁₉H₂₄F₁₇N₂O₃

Average Molecular Mass

650.377 g/mol

Monoisotopic Mass

651.152 g/mol

CAS Registry Number

Not Available

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

C[N+](C)(CCCNCC(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)F)CCC([O-])=O

InChI Identifier

InChI=1S/C19H23F17N2O3/c1-38(2,7-4-11(40)41)6-3-5-37-9-10(39)8-12(20,21)13(22,23)14(24,25)15(26,27)16(28,29)17(30,31)18(32,33)19(34,35)36/h10,37,39H,3-9H2,1-2H3/p+1

InChI Key

IYAILADQVOJMHN-UHFFFAOYSA-N

Chemical Taxonomy

Classification

Not classified

Biological Properties

Status

Detected and Not Quantified

Origin

Not Available

Cellular Locations

Not Available

Biofluid Locations

Not Available

Tissue Locations

Not Available

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

Not Available

Organoleptic Effects

Not Available

Physical Properties

State

Not Available

Appearance

Not Available

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Not Available

Spectra

Not Available

Toxicity Profile

Toxicity Values

Not Available

Toxicity / Toxin Class

Not Available

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
CEDs000007	Pesticides?Pesticides are synthetic chemicals designed to prevent, destroy, or control pests that threaten crops and agricultural productivity.	Agriculture & land management	Not Available
CEDs000120	Wires and cables?Wires and cables are integral components in the transmission of electrical power and signals.	Electrical & Electronic Equipment	Not Available
CEDs000121	Printed circuit boards?Printed circuit boards (PCBs) are essential components in the manufacturing of electronic devices, serving as the backbone for electrical connections and circuit pathways.	Electrical & Electronic Equipment	Not Available
CEDs000125	Batteries?Batteries are devices that store and release electrical energy through electrochemical reactions.	Electrical & Electronic Equipment	Not Available
CEDs000130	Semiconductors?Semiconductors are materials that possess electrical conductivity between that of conductors and insulators, making them essential for various electronic applications, including transistors, diodes, and integrated circuits.	Electrical & Electronic Equipment	Not Available
CEDs000138	Lubricants?Lubricants are synthetic or petroleum-derived substances used to reduce friction between surfaces in machinery and equipment, enhancing operational efficiency and longevity.	Energy, oil & gas	Not Available
CEDs000147	Food packaging?Food packaging often utilizes synthetic chemicals, such as plastics and coatings, to enhance durability, moisture resistance, and shelf life.	Food, food processing & cookware	Not Available
CEDs000174	Lubricants?Lubricants are synthetic or petroleum-based substances used to reduce friction and wear between moving parts in machinery and equipment.	Industrial manufacturing & chemical processing	Not Available
CEDs000234	Medical devices?Medical devices often incorporate synthetic chemicals in their manufacturing processes, which can contribute to contamination in healthcare settings.	Healthcare, pharmaceuticals & veterinary products	Not Available
CEDs000451	Carpets and Rugs?Carpets and rugs are commonly manufactured using synthetic fibers such as nylon, polyester, and polypropylene, which can be derived from petrochemical sources.	Textiles, leather & furnishings	Not Available
CEDs000454	Synthetic textiles?Synthetic textiles are materials derived from man-made fibers, such as polyester, nylon, and acrylic, which are produced through chemical processes involving petrochemicals.	Textiles, leather & furnishings	Not Available
CEDs000490		Personal care & cosmetics	Not Available
CEDs000492	Cell phones?Cell phones contain a variety of synthetic chemicals and materials, including plastics, metals, and glass, which can contribute to environmental contamination.	Electrical & Electronic Equipment	Not Available
CEDs000493	Capacitors?Capacitors are electronic components that store and release electrical energy, often using dielectric materials that can include synthetic chemicals.	Electrical & Electronic Equipment	Not Available

Pathways

0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets

Structure	Protein	UniProt ID	Organism	Relationship	Details
Click to view 3D structure	Acetylpolyamine amidohydrolase	Q48935	Mycoplana ramosa	Predicted (SEA)	Prediction Confidence Score 0.22 Applicability Domain 0.22 Low confidence Statistical Significance 6.50e-04 Supporting Reference Compounds 1 E-value 5.0602
Click to view 3D structure	Mitochondrial carnitine/acylcarnitine carrier protein	O43772	Humans	Predicted (SEA)	Prediction Confidence Score 0.2 Applicability Domain 0.2 Low confidence Statistical Significance 0.003 Supporting Reference Compounds 1 E-value 23.744
Click to view 3D structure	Carnitine O-palmitoyltransferase 2, mitochondrial	P23786	Humans	Predicted (SEA)	Prediction Confidence Score 0.188 Applicability Domain 0.219 Low confidence Statistical Significance 0.1326 Supporting Reference Compounds 14 E-value 1032.51
Click to view 3D structure	Sodium- and chloride-dependent creatine transporter 1	P28570	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.185 Applicability Domain 0.185 Low confidence Statistical Significance 0.0022 Supporting Reference Compounds 1 E-value 17.2825
Click to view 3D structure	Beta-2 adrenergic receptor	P07550	Humans	Predicted (SEA)	Prediction Confidence Score 0.184 Applicability Domain 0.203 Low confidence Statistical Significance 0.798 Supporting Reference Compounds 258 E-value 6212.06
Click to view 3D structure	Cyclic nucleotide-gated channel alpha-1	Q00194	Bos taurus	Predicted (SEA)	Prediction Confidence Score 0.183 Applicability Domain 0.225 Low confidence Statistical Significance 0.0288 Supporting Reference Compounds 2 E-value 224.206
Click to view 3D structure	Beta-1 adrenergic receptor	P08588	Humans	Predicted (SEA)	Prediction Confidence Score 0.183 Applicability Domain 0.203 Low confidence Statistical Significance 0.7247 Supporting Reference Compounds 180 E-value 5641.58
Click to view 3D structure	Beta-3 adrenergic receptor	P13945	Humans	Predicted (SEA)	Prediction Confidence Score 0.181 Applicability Domain 0.203 Low confidence Statistical Significance 0.6582 Supporting Reference Compounds 145 E-value 5124.19
Click to view 3D structure	Beta-2 adrenergic receptor	P18762	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.181 Applicability Domain 0.181 Low confidence Statistical Significance 0.0461 Supporting Reference Compounds 1 E-value 358.574
Click to view 3D structure	CAI-1 autoinducer sensor kinase/phosphatase CqsS	Q9KM66	Vibrio cholerae serotype O1 (strain ATCC 39315 / El Tor Inaba N16961)	Predicted (SEA)	Prediction Confidence Score 0.179 Applicability Domain 0.179 Low confidence Statistical Significance 0.0078 Supporting Reference Compounds 1 E-value 60.5667
Click to view 3D structure	Inward rectifier potassium channel 2	P35561	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.175 Applicability Domain 0.175 Low confidence Statistical Significance 0.1394 Supporting Reference Compounds 1 E-value 1085.3
Click to view 3D structure	Beta-1 adrenergic receptor	B0FL73	Cavia porcellus	Predicted (SEA)	Prediction Confidence Score 0.172 Applicability Domain 0.221 Low confidence Statistical Significance 0.1983 Supporting Reference Compounds 37 E-value 1543.91
Click to view 3D structure	Beta-2 adrenergic receptor	Q8K4Z4	Cavia porcellus	Predicted (SEA)	Prediction Confidence Score 0.171 Applicability Domain 0.221 Low confidence Statistical Significance 0.2743 Supporting Reference Compounds 48 E-value 2135.64
Click to view 3D structure	5-hydroxytryptamine receptor 1A	P19327	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.171 Applicability Domain 0.203 Low confidence Statistical Significance 0.9175 Supporting Reference Compounds 541 E-value 7142.67
Click to view 3D structure	Fatty-acid amide hydrolase 1	O00519	Humans	Predicted (SEA)	Prediction Confidence Score 0.166 Applicability Domain 0.182 Low confidence Statistical Significance 0.8106 Supporting Reference Compounds 106 E-value 6310.77
Click to view 3D structure	Cytochrome P450 2D6	P10635	Humans	Predicted (SEA)	Prediction Confidence Score 0.165 Applicability Domain 0.203 Low confidence Statistical Significance 0.9894 Supporting Reference Compounds 1130 E-value 7702.48
Click to view 3D structure	Voltage-gated inwardly rectifying potassium channel KCNH2	Q12809	Humans	Predicted (SEA)	Prediction Confidence Score 0.165 Applicability Domain 0.203 Low confidence Statistical Significance 0.9906 Supporting Reference Compounds 1498 E-value 7711.98
Click to view 3D structure	Liver carboxylesterase 1	P23141	Humans	Predicted (SEA)	Prediction Confidence Score 0.165 Applicability Domain 0.182 Low confidence Statistical Significance 0.3524 Supporting Reference Compounds 55 E-value 2743.64
Click to view 3D structure	Juvenile hormone esterase	Q9GPG0	Manduca sexta	Predicted (SEA)	Prediction Confidence Score 0.165 Applicability Domain 0.182 Low confidence Statistical Significance 0.0094 Supporting Reference Compounds 2 E-value 73.1783
Click to view 3D structure	Cocaine esterase	O00748	Humans	Predicted (SEA)	Prediction Confidence Score 0.164 Applicability Domain 0.182 Low confidence Statistical Significance 0.3228 Supporting Reference Compounds 40 E-value 2512.74
Click to view 3D structure	Esterase	A3QR02	Chilo suppressalis	Predicted (SEA)	Prediction Confidence Score 0.164 Applicability Domain 0.164 Low confidence Statistical Significance 0.0038 Supporting Reference Compounds 1 E-value 29.6606
Click to view 3D structure	Sodium-dependent dopamine transporter	Q01959	Humans	Predicted (SEA)	Prediction Confidence Score 0.163 Applicability Domain 0.203 Low confidence Statistical Significance 0.9744 Supporting Reference Compounds 506 E-value 7585.86
Click to view 3D structure	Alkaline ceramidase 2	Q5QJU3	Humans	Predicted (SEA)	Prediction Confidence Score 0.162 Applicability Domain 0.162 Low confidence Statistical Significance 0.1397 Supporting Reference Compounds 1 E-value 1087.24
Click to view 3D structure	Farnesyl diphosphate synthase	Q197X6	Toxoplasma gondii	Predicted (SEA)	Prediction Confidence Score 0.159 Applicability Domain 0.207 Low confidence Statistical Significance 0.007 Supporting Reference Compounds 4 E-value 54.4166
Click to view 3D structure	Liver carboxylesterase	Q29550	Sus scrofa	Predicted (SEA)	Prediction Confidence Score 0.159 Applicability Domain 0.182 Low confidence Statistical Significance 0.1774 Supporting Reference Compounds 20 E-value 1380.81