Sodium 3-(methyl(3-(((tridecafluorohexyl)sulphonyl)amino)propyl)amino)propanesulphonate (CHEM062342)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-04-03 06:31:45 UTC | ||||||||
| Update Date | 2026-08-28 00:58:08 UTC | ||||||||
| Accession Number | CHEM062342 | ||||||||
| Identification | |||||||||
| Common Name | Sodium 3-(methyl(3-(((tridecafluorohexyl)sulphonyl)amino)propyl)amino)propanesulphonate | ||||||||
| Class | Small Molecule | ||||||||
| Description | Sodium 3-(methyl(3-(((tridecafluorohexyl)sulphonyl)amino)propyl)amino)propanesulphonate 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 614.37 g/mol, Sodium 3-(methyl(3-(((tridecafluorohexyl)sulphonyl)amino)propyl)amino)propanesulphonate is a heavy molecule. Its chemical formula is C13H17F13N2O5S2. This compound is found in or released from 13 recorded sources across various sectors. In the electrical and electronic equipment sector, it is associated with cell phones, capacitors, wires and cables, batteries, and printed circuit boards, among one other source. Within textiles, leather and furnishings, it is found in carpets, rugs, and synthetic textiles. Other identified sources include food packaging from the food, food processing and cookware sector, as well as medical devices from the healthcare, pharmaceuticals and veterinary products sector. Additionally, it is used as lubricants within the energy, oil and gas sector and the industrial manufacturing and chemical processing sector, along with one further sector. Recorded exposure routes for this substance include inhalation, oral, and touch. | ||||||||
| Contaminant Sources | Not Available | ||||||||
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| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C13H17F13N2O5S2 | ||||||||
| Average Molecular Mass | 614.370 g/mol | ||||||||
| Monoisotopic Mass | 592.037 g/mol | ||||||||
| CAS Registry Number | 80621-17-6 | ||||||||
| IUPAC Name | sodium;3-[methyl-[3-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexylsulfonylamino)propyl]amino]propane-1-sulfonate | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | [Na+].[H]N(CCCN(C)CCCS([O-])(=O)=O)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=1S/C13H17F13N2O5S2/c1-28(6-3-7-34(29,30)31)5-2-4-27-35(32,33)13(25,26)11(20,21)9(16,17)8(14,15)10(18,19)12(22,23)24/h27H,2-7H2,1H3,(H,29,30,31) | ||||||||
| InChI Key | IPXGZIINYLGNBN-UHFFFAOYSA-M | ||||||||
| 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 | ||||||||
| Pathways | Not Available | ||||||||
| Applications | Not Available | ||||||||
| Biological Roles | Not Available | ||||||||
| Chemical Roles | Not Available | ||||||||
| Physical Properties | |||||||||
| State | Not Available | ||||||||
| Appearance | Not Available | ||||||||
| Experimental Properties |
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| Predicted Properties | Not Available | ||||||||
| Spectra | |||||||||
| Spectra |
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| 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 | |||||||||
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| Identifiers | Not Available | ||||||||
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| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
