Perfluoroalkylamido ammonium, n=3 (CED0000492)

Record Information

Version

1.0

Creation Date

2026-04-05 15:15:52 UTC

Update Date

2026-08-25 11:27:07 UTC

SynCED ID

CED0000492

Secondary Accession Numbers

CHEM104243

Identification

Common Name

Perfluoroalkylamido ammonium, n=3

Class

Small Molecule

Description

Perfluoroalkylamido ammonium, n=3 belongs to the alkyl fluorides, a subclass of alkyl halides within the organic compounds. This compound has the chemical formula C9H13F7N2O and an average molecular weight of 298.20 g/mol. The substance is found in or released from 13 recorded sources across multiple sectors. Within the electrical and electronic equipment sector, it is associated with cell phones, capacitors, wires and cables, batteries, and printed circuit boards, among others. In the textiles, leather and furnishings sector, it is found in synthetic textiles as well as carpets and rugs. It is also present in food packaging within the food, food processing and cookware sector, and in medical devices within the healthcare, pharmaceuticals and veterinary products sector. Additionally, it is used as a lubricant in both the energy, oil and gas sector and the industrial manufacturing and chemical processing sector. Recorded exposure routes for this compound include inhalation, oral, and touch.

Contaminant Type

PFAS

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₉H₁₃F₇N₂O

Average Molecular Mass

298.205 g/mol

Monoisotopic Mass

298.092 g/mol

CAS Registry Number

64790-29-0

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

CN(C)CCCNC(=O)C(F)(F)C(F)(F)C(F)(F)F

InChI Identifier

InChI=1S/C9H13F7N2O/c1-18(2)5-3-4-17-6(19)7(10,11)8(12,13)9(14,15)16/h3-5H2,1-2H3,(H,17,19)

InChI Key

ZWLUCJNJSFZMTB-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

Toxicity Value	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Toxicity Rating	Reference
1043.0 Log mg/kg [590:1900]	Rat	LD50	oral	predicted	Not Available	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	Sigma non-opioid intracellular receptor 1	Q99720	Humans	Predicted (SEA)	Prediction Confidence Score 0.236 Applicability Domain 0.269 Low confidence Statistical Significance 0.3146 Supporting Reference Compounds 562 E-value 2449.06
Click to view 3D structure	Protein deacetylase HDAC6	Q9UBN7	Humans	Predicted (SEA)	Prediction Confidence Score 0.228 Applicability Domain 0.241 Low confidence Statistical Significance 0.4579 Supporting Reference Compounds 553 E-value 3565.03
Click to view 3D structure	5-hydroxytryptamine receptor 1B	P28222	Humans	Predicted (SEA)	Prediction Confidence Score 0.224 Applicability Domain 0.325 Statistical Significance 0.3248 Supporting Reference Compounds 337 E-value 2528.78
Click to view 3D structure	Histone deacetylase-like amidohydrolase	Q70I53	Alcaligenes sp. (strain DSM 11172)	Predicted (SEA)	Prediction Confidence Score 0.224 Applicability Domain 0.241 Low confidence Statistical Significance 0.0088 Supporting Reference Compounds 11 E-value 68.2738
Click to view 3D structure	Histone deacetylase 1	Q13547	Humans	Predicted (SEA)	Prediction Confidence Score 0.223 Applicability Domain 0.235 Low confidence Statistical Significance 0.4849 Supporting Reference Compounds 497 E-value 3774.99
Click to view 3D structure	Inositol hexakisphosphate and diphosphoinositol-pentakisphosphate kinase 2	O43314	Humans	Predicted (SEA)	Prediction Confidence Score 0.222 Applicability Domain 0.222 Low confidence Statistical Significance 1.40e-04 Supporting Reference Compounds 1 E-value 1.08989
Click to view 3D structure	BDNF/NT-3 growth factors receptor	Q16620	Humans	Predicted (SEA)	Prediction Confidence Score 0.218 Applicability Domain 0.24 Low confidence Statistical Significance 0.6453 Supporting Reference Compounds 721 E-value 5023.61
Click to view 3D structure	5-hydroxytryptamine receptor 2C	P28335	Humans	Predicted (SEA)	Prediction Confidence Score 0.215 Applicability Domain 0.269 Low confidence Statistical Significance 0.6432 Supporting Reference Compounds 823 E-value 5007.42
Click to view 3D structure	5-hydroxytryptamine receptor 2A	P28223	Humans	Predicted (SEA)	Prediction Confidence Score 0.215 Applicability Domain 0.269 Low confidence Statistical Significance 0.6702 Supporting Reference Compounds 955 E-value 5217.3
Click to view 3D structure	Fatty-acid amide hydrolase 1	P97612	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.214 Applicability Domain 0.233 Low confidence Statistical Significance 0.2046 Supporting Reference Compounds 102 E-value 1593.03
Click to view 3D structure	Acetylpolyamine amidohydrolase	Q48935	Mycoplana ramosa	Predicted (SEA)	Prediction Confidence Score 0.213 Applicability Domain 0.213 Low confidence Statistical Significance 8.80e-04 Supporting Reference Compounds 1 E-value 6.85073
Click to view 3D structure	5'-AMP-activated protein kinase catalytic subunit alpha-1	Q13131	Humans	Predicted (SEA)	Prediction Confidence Score 0.212 Applicability Domain 0.24 Low confidence Statistical Significance 0.6583 Supporting Reference Compounds 596 E-value 5124.74
Click to view 3D structure	Rho-associated protein kinase 1	Q13464	Humans	Predicted (SEA)	Prediction Confidence Score 0.212 Applicability Domain 0.233 Low confidence Statistical Significance 0.7261 Supporting Reference Compounds 834 E-value 5652.71
Click to view 3D structure	Transient receptor potential cation channel subfamily V member 2	Q9WUD2	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.212 Applicability Domain 0.233 Low confidence Statistical Significance 0.0123 Supporting Reference Compounds 21 E-value 95.5988
Click to view 3D structure	CG8425-PA [Drosophila melanogaster]	A1ZA98	Drosophila melanogaster	Predicted (SEA)	Prediction Confidence Score 0.209 Applicability Domain 0.222 Low confidence Statistical Significance 0.003 Supporting Reference Compounds 4 E-value 23.744
Click to view 3D structure	Mu-type opioid receptor	P35372	Humans	Predicted (SEA)	Prediction Confidence Score 0.209 Applicability Domain 0.241 Low confidence Statistical Significance 0.5925 Supporting Reference Compounds 527 E-value 4612.64
Click to view 3D structure	Juvenile hormone esterase	Q9GPG0	Manduca sexta	Predicted (SEA)	Prediction Confidence Score 0.208 Applicability Domain 0.22 Low confidence Statistical Significance 0.0033 Supporting Reference Compounds 2 E-value 25.6902
Click to view 3D structure	Acid ceramidase	Q6P7S1	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.207 Applicability Domain 0.218 Low confidence Statistical Significance 0.0139 Supporting Reference Compounds 10 E-value 108.133
Click to view 3D structure	5-hydroxytryptamine receptor 1B	P28564	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.207 Applicability Domain 0.325 Statistical Significance 0.2789 Supporting Reference Compounds 154 E-value 2171.37
Click to view 3D structure	Liver carboxylesterase 1	P23141	Humans	Predicted (SEA)	Prediction Confidence Score 0.207 Applicability Domain 0.22 Low confidence Statistical Significance 0.0701 Supporting Reference Compounds 55 E-value 545.49
Click to view 3D structure	Lysine-specific demethylase 4C	Q9H3R0	Humans	Predicted (SEA)	Prediction Confidence Score 0.207 Applicability Domain 0.302 Statistical Significance 0.1877 Supporting Reference Compounds 72 E-value 1461.54
Click to view 3D structure	ATP-dependent Clp protease proteolytic subunit	Q5F914	Neisseria gonorrhoeae	Predicted (SEA)	Prediction Confidence Score 0.206 Applicability Domain 0.206 Low confidence Statistical Significance 0.0106 Supporting Reference Compounds 1 E-value 82.7537
Click to view 3D structure	Cocaine esterase	O00748	Humans	Predicted (SEA)	Prediction Confidence Score 0.206 Applicability Domain 0.22 Low confidence Statistical Significance 0.0416 Supporting Reference Compounds 40 E-value 324.008
Click to view 3D structure	Cyclic nucleotide-gated channel alpha-1	Q00194	Bos taurus	Predicted (SEA)	Prediction Confidence Score 0.206 Applicability Domain 0.269 Low confidence Statistical Significance 0.0104 Supporting Reference Compounds 2 E-value 80.9632
Click to view 3D structure	Fatty-acid amide hydrolase 1	O00519	Humans	Predicted (SEA)	Prediction Confidence Score 0.205 Applicability Domain 0.22 Low confidence Statistical Significance 0.3631 Supporting Reference Compounds 106 E-value 2826.78