Perfluoroalkanesulfonamido quaternary ammonium alcohol (qaPFSMd n=4) (CED0001807)

Record Information

Version

1.0

Creation Date

2026-04-05 15:03:43 UTC

Update Date

2026-08-27 17:26:47 UTC

Accession Number

CHEM104105

Identification

Common Name

Perfluoroalkanesulfonamido quaternary ammonium alcohol (qaPFSMd n=4)

Class

Small Molecule

Description

Perfluoroalkanesulfonamido quaternary ammonium alcohol (qaPFSMd n=4) is an organic compound with the formula C11H18F9N2O3S and an average molecular weight of 429.33 g/mol. Perfluoroalkanesulfonamido quaternary ammonium alcohol (qaPFSMd n=4) belongs to the organosulfonic acids and derivatives, a subclass of organic sulfonic acids and derivatives within the organic compounds. This compound is associated with 13 recorded sources across multiple sectors. Within Electrical & Electronic Equipment, it is found in cell phones, capacitors, batteries, printed circuit boards, wires and cables, and one additional source. In the textiles, leather & furnishings sector, it is present in carpets, rugs, and synthetic textiles. It is also identified in food packaging within the food, food processing & cookware sector, as well as in medical devices from the healthcare, pharmaceuticals & veterinary products sector. Additionally, the compound is used in lubricants within the energy, oil & gas and industrial manufacturing & chemical processing sectors, along with one further sector. 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

C₁₁H₁₈F₉N₂O₃S

Average Molecular Mass

Not Available

Monoisotopic Mass

429.089 g/mol

CAS Registry Number

Not Available

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

C[N+](C)(CCCNS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)CCO

InChI Identifier

InChI=1S/C11H18F9N2O3S/c1-22(2,6-7-23)5-3-4-21-26(24,25)11(19,20)9(14,15)8(12,13)10(16,17)18/h21,23H,3-7H2,1-2H3/q+1

InChI Key

NGEDIHQFESSIKU-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

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Toxicity Values

Toxicity Value	Unit	Value Range	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Reference
279.0	Log mg/kg	[160:500]	Rat	LD50	oral	predicted	Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
7	Pesticides	Agriculture & land management	Not Available
120	Wires and cables	Electrical & Electronic Equipment	Not Available
121	Printed circuit boards	Electrical & Electronic Equipment	Not Available
125	Batteries	Electrical & Electronic Equipment	Not Available
130	Semiconductors	Electrical & Electronic Equipment	Not Available
138	Lubricants	Energy, oil & gas	Not Available
147	Food packaging	Food, food processing & cookware	Not Available
174	Lubricants	Industrial manufacturing & chemical processing	Not Available
234	Medical devices	Healthcare, pharmaceuticals & veterinary products	Not Available
451	Carpets and Rugs	Textiles, leather & furnishings	Not Available
454	Synthetic textiles	Textiles, leather & furnishings	Not Available
490		Personal care & cosmetics	Not Available
492	Cell phones	Electrical & Electronic Equipment	Not Available
493	Capacitors	Electrical & Electronic Equipment	Not Available

Pathways

0 pathways

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	Sodium- and chloride-dependent creatine transporter 1	P28570	Rattus norvegicus	Predicted (SEA)	0.311397
Click to view 3D structure	Carbonic anhydrase 1	P00915	Humans	Predicted (SEA)	4433.9
Click to view 3D structure	Liver carboxylesterase 1	P23141	Humans	Predicted (SEA)	1369.29
Click to view 3D structure	Carbonic anhydrase 14	Q9ULX7	Humans	Predicted (SEA)	4196.46
Click to view 3D structure	Carbonic anhydrase 7	P43166	Humans	Predicted (SEA)	5016.37
Click to view 3D structure	72 kDa type IV collagenase	P08253	Humans	Predicted (SEA)	6418.12
Click to view 3D structure	Liver carboxylesterase B-1	Q63010	Rattus norvegicus	Predicted (SEA)	33.6309
Click to view 3D structure	Carbonic anhydrase 2	P00918	Humans	Predicted (SEA)	6324.39
Click to view 3D structure	Cannabinoid receptor 1	P20272	Rattus norvegicus	Predicted (SEA)	3765.72
Click to view 3D structure	Cyclic nucleotide-gated channel alpha-1	Q00194	Bos taurus	Predicted (SEA)	361.22
Click to view 3D structure	Interstitial collagenase	P03956	Humans	Predicted (SEA)	6503.45
Click to view 3D structure	Liver carboxylesterase	Q29550	Sus scrofa	Predicted (SEA)	763.545
Click to view 3D structure	Neutrophil collagenase	P22894	Humans	Predicted (SEA)	5745.27
Click to view 3D structure	Matrix metalloproteinase-9	P14780	Humans	Predicted (SEA)	6673.55
Click to view 3D structure	Acetylpolyamine amidohydrolase	Q48935	Mycoplana ramosa	Predicted (SEA)	31.996
Click to view 3D structure	Transient receptor potential cation channel subfamily V member 2	Q9WUD2	Rattus norvegicus	Predicted (SEA)	370.484
Click to view 3D structure	Carbonic anhydrase 12	O43570	Humans	Predicted (SEA)	6682.97
Click to view 3D structure	Carbonic anhydrase 4	Q95323	Bos taurus	Predicted (SEA)	2590.67
Click to view 3D structure	Fatty-acid amide hydrolase 1	P97612	Rattus norvegicus	Predicted (SEA)	5983.8
Click to view 3D structure	Inward rectifier potassium channel 2	P35561	Mus musculus	Predicted (SEA)	1589.99
Click to view 3D structure	Juvenile hormone esterase	Q9GPG0	Manduca sexta	Predicted (SEA)	85.7898
Click to view 3D structure	Fatty-acid amide hydrolase 1	O00519	Humans	Predicted (SEA)	6801.22
Click to view 3D structure	Cannabinoid receptor 1	P21554	Humans	Predicted (SEA)	7410.16
Click to view 3D structure	Cocaine esterase	O00748	Humans	Predicted (SEA)	3242.5
Click to view 3D structure	Cannabinoid receptor 2	P34972	Humans	Predicted (SEA)	7317.67