N,N-Dimethyl-N-(3-sulfopropyl)-3-[[(perfluorobutyl)sulfonyl]amino]-1-propanaminium (PFSMSbtA n=4) (CHEM104144)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-04-05 15:07:29 UTC | ||||||||
| Update Date | 2026-08-27 21:03:02 UTC | ||||||||
| Accession Number | CHEM104144 | ||||||||
| Identification | |||||||||
| Common Name | N,N-Dimethyl-N-(3-sulfopropyl)-3-[[(perfluorobutyl)sulfonyl]amino]-1-propanaminium (PFSMSbtA n=4) | ||||||||
| Class | Small Molecule | ||||||||
| Description | N,N-Dimethyl-N-(3-sulfopropyl)-3-[[(perfluorobutyl)sulfonyl]amino]-1-propanaminium (PFSMSbtA n=4) 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 507.41 g/mol, N,N-Dimethyl-N-(3-sulfopropyl)-3-[[(perfluorobutyl)sulfonyl]amino]-1-propanaminium (PFSMSbtA n=4) is a heavy molecule. It is characterized by the chemical formula C12H20F9N2O5S2. This compound is found in or released from 13 recorded sources across multiple sectors. In the realm of 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 present in textiles, leather and furnishings, specifically within carpets, rugs, and synthetic textiles. Other recorded 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 found in lubricants utilized in energy, oil and gas, as well as industrial manufacturing and chemical processing, along with one further sector. Recorded routes of exposure for this substance include inhalation, oral ingestion, and touch. | ||||||||
| Contaminant Sources | Not Available | ||||||||
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| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C12H20F9N2O5S2 | ||||||||
| Average Molecular Mass | 507.410 g/mol | ||||||||
| Monoisotopic Mass | 507.067 g/mol | ||||||||
| CAS Registry Number | 2089108-66-5 | ||||||||
| IUPAC Name | dimethyl-[3-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonylamino)propyl]-(3-sulfopropyl)azanium | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | C[N+](C)(CCCNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CCCS(O)(=O)=O | ||||||||
| InChI Identifier | InChI=1S/C12H19F9N2O5S2/c1-23(2,7-4-8-29(24,25)26)6-3-5-22-30(27,28)12(20,21)10(15,16)9(13,14)11(17,18)19/h22H,3-8H2,1-2H3/p+1 | ||||||||
| InChI Key | OKJADBQCVYOGPD-UHFFFAOYSA-O | ||||||||
| 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 | ||||||||
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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 | ||||||||
