3-((Perfluorohexylsulfonyl)amino)-N,N,N-trimethyl-1-propanaminium iodide (CHEM112919)
| Record Information | |||||||||
|---|---|---|---|---|---|---|---|---|---|
| Version | 1.0 | ||||||||
| Creation Date | 2026-04-06 00:08:56 UTC | ||||||||
| Update Date | 2026-05-21 00:28:49 UTC | ||||||||
| Accession Number | CHEM112919 | ||||||||
| Identification | |||||||||
| Common Name | 3-((Perfluorohexylsulfonyl)amino)-N,N,N-trimethyl-1-propanaminium iodide | ||||||||
| Class | Small Molecule | ||||||||
| Description | 3-((Perfluorohexylsulfonyl)amino)-N,N,N-trimethyl-1-propanaminium iodide belongs to the organosulfonic acids and derivatives, a subclass of organic sulfonic acids and derivatives within the organic compounds. With an average molecular weight of 626.22 g/mol, 3-((Perfluorohexylsulfonyl)amino)-N,N,N-trimethyl-1-propanaminium iodide is a heavy molecule. It has the chemical formula C12H16F13IN2O2S. This compound is found in or released from 13 recorded sources across several sectors. In the electrical and electronic equipment sector, it is associated with capacitors, cell phones, batteries, printed circuit boards, wires and cables, and one additional source. Within 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, the compound is utilized as lubricants in both the energy, oil and gas sector and the industrial manufacturing and chemical processing sector, along with one other sector. Recorded routes of exposure for this substance include inhalation, oral, and touch. | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type |
| ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C12H16F13IN2O2S | ||||||||
| Average Molecular Mass | 626.220 g/mol | ||||||||
| Monoisotopic Mass | 625.977 g/mol | ||||||||
| CAS Registry Number | Not Available | ||||||||
| IUPAC Name | N,N,N-trimethyl-3-{[(tridecafluorohexyl)sulfonyl]amino}propan-1-aminium iodide | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | [I-].[H]N(CCC[N+](C)(C)C)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F | ||||||||
| InChI Identifier | InChI=1/C12H16F13N2O2S.HI/c1-27(2,3)6-4-5-26-30(28,29)12(24,25)10(19,20)8(15,16)7(13,14)9(17,18)11(21,22)23;/h26H,4-6H2,1-3H3;1H/q+1;/p-1 | ||||||||
| InChI Key | ISWKWKSVIRGKHB-UHFFFAOYSA-M | ||||||||
| Chemical Taxonomy | |||||||||
| Description | belongs to the class of organic compounds known as organosulfonamides. Organosulfonamides are compounds containing the sulfonamide functional group, an amide of sulfonic acid with the general structure R1S(=O)2N(R2)R3 (R1=alkyl, aryl; R2,R3=H, alkyl, aryl). | ||||||||
| Kingdom | Organic compounds | ||||||||
| Super Class | Organic acids and derivatives | ||||||||
| Class | Organic sulfonic acids and derivatives | ||||||||
| Sub Class | Organosulfonic acids and derivatives | ||||||||
| Direct Parent | Organosulfonamides | ||||||||
| Alternative Parents | |||||||||
| Substituents |
| ||||||||
| Molecular Framework | Aliphatic acyclic compounds | ||||||||
| External Descriptors | Not Available | ||||||||
| Biological Properties | |||||||||
| Status | Detected and Not Quantified | ||||||||
| Origin | Not Available | ||||||||
| Cellular Locations | Not Available | ||||||||
| Biofluid Locations | Not Available | ||||||||
| Tissue Locations | Not Available | ||||||||
| Pathways | Not Available | ||||||||
| Applications | Not Available | ||||||||
| Biological Roles | Not Available | ||||||||
| Chemical Roles | Not Available | ||||||||
| Physical Properties | |||||||||
| State | Not Available | ||||||||
| Appearance | Not Available | ||||||||
| Experimental Properties |
| ||||||||
| Predicted Properties | Not Available | ||||||||
| Spectra | |||||||||
| Spectra | Not Available | ||||||||
| Toxicity Profile | |||||||||
| Route of Exposure | Not Available | ||||||||
| Mechanism of Toxicity | Not Available | ||||||||
| Metabolism | Not Available | ||||||||
| Toxicity Values | Not Available | ||||||||
| Lethal Dose | Not Available | ||||||||
| Carcinogenicity (IARC Classification) | Not Available | ||||||||
| Uses/Sources | Not Available | ||||||||
| Minimum Risk Level | Not Available | ||||||||
| Health Effects | Not Available | ||||||||
| Symptoms | Not Available | ||||||||
| Treatment | Not Available | ||||||||
| Concentrations | |||||||||
| Not Available | |||||||||
| External Links | |||||||||
| DrugBank ID | Not Available | ||||||||
| HMDB ID | Not Available | ||||||||
| FooDB ID | Not Available | ||||||||
| Phenol Explorer ID | Not Available | ||||||||
| KNApSAcK ID | Not Available | ||||||||
| BiGG ID | Not Available | ||||||||
| BioCyc ID | Not Available | ||||||||
| METLIN ID | Not Available | ||||||||
| PDB ID | Not Available | ||||||||
| Wikipedia Link | Not Available | ||||||||
| Chemspider ID | Not Available | ||||||||
| ChEBI ID | Not Available | ||||||||
| PubChem Compound ID | 111909 | ||||||||
| Kegg Compound ID | Not Available | ||||||||
| YMDB ID | Not Available | ||||||||
| ECMDB ID | Not Available | ||||||||
| References | |||||||||
| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
