108251 <common-name>N,N-Dimethyl-N-(3-sulfopropyl)-3-[[(perfluorobutyl)sulfonyl]amino]-1-propanaminium (PFSMSbtA n=4)</common-name> <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.</description> <cas>2089108-66-5</cas> <pubchem-id>139596419</pubchem-id> <chemical-formula>C12H20F9N2O5S2</chemical-formula> <weight>507.4</weight> <appearance nil="true"/> <melting-point nil="true"/> <boiling-point nil="true"/> <density nil="true"/> <solubility nil="true"/> <specific-gravity nil="true"/> <flash-point nil="true"/> <vapour-pressure nil="true"/> <route-of-exposure nil="true"/> <target nil="true"/> <mechanism-of-toxicity nil="true"/> <metabolism nil="true"/> <toxicity nil="true"/> <lethaldose nil="true"/> <carcinogenicity nil="true"/> <use-source nil="true"/> <min-risk-level nil="true"/> <health-effects nil="true"/> <symptoms nil="true"/> <treatment nil="true"/> <created-at type="dateTime">2026-04-05T15:07:29Z</created-at> <updated-at type="dateTime">2026-08-27T21:03:02Z</updated-at> <interacting-proteins nil="true"/> <wikipedia nil="true"/> <uniprot-id nil="true"/> <kegg-compound-id nil="true"/> <omim-id nil="true"/> <chebi-id nil="true"/> <biocyc-id nil="true"/> <ctd-id nil="true"/> <stitch-id nil="true"/> <drugbank-id nil="true"/> <pdb-id nil="true"/> <actor-id nil="true"/> <organism nil="true"/> <export type="boolean">true</export> <metabolizing-proteins nil="true"/> <transporting-proteins nil="true"/> <moldb-smiles>C[N+](C)(CCCNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CCCS(O)(=O)=O</moldb-smiles> <moldb-formula>C12H20F9N2O5S2</moldb-formula> <moldb-inchi>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</moldb-inchi> <moldb-inchikey>OKJADBQCVYOGPD-UHFFFAOYSA-O</moldb-inchikey> <moldb-average-mass type="decimal">507.41</moldb-average-mass> <moldb-mono-mass type="decimal">507.0669927</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>2.2</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id nil="true"/> <structure-image-file-name nil="true"/> <structure-image-content-type nil="true"/> <structure-image-file-size type="integer" nil="true"/> <structure-image-updated-at type="dateTime" nil="true"/> <biodb-id nil="true"/> <synthesis-reference nil="true"/> <structure-image-caption nil="true"/> <chemdb-id>CHEM104144</chemdb-id> <dsstox-id>DTXSID201032345</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00075076</susdat-id> <iupac>dimethyl-[3-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonylamino)propyl]-(3-sulfopropyl)azanium</iupac> <moldb-polar-surface-area nil="true"/> <moldb-refractivity nil="true"/> <moldb-polarizability nil="true"/> <moldb-rotatable-bond-count nil="true"/> <moldb-acceptor-count nil="true"/> <moldb-donor-count nil="true"/> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic nil="true"/> <moldb-physiological-charge nil="true"/> <moldb-number-of-rings nil="true"/> <moldb-alogps-logp nil="true"/> <moldb-alogps-logs nil="true"/> <moldb-alogps-solubility nil="true"/> <kingdom>Organic compounds</kingdom> <superklass>Organic acids and derivatives</superklass> <klass>Organic sulfonic acids and derivatives</klass> <subklass>Organosulfonic acids and derivatives</subklass> <paper-count type="integer">0</paper-count> <sync-id>CED0175195</sync-id> <structure-inchikey>OKJADBQCVYOGPD-UHFFFAOYSA-O</structure-inchikey> <structure-fingerprint>2000010000080000000a000000000000010000000000000000000000000000000000000000000020000000000000002000000000000000040000000000000100000000000008000000008084020001000000000000000000000000000000000010000010000000000000200000048000000200000000040000000000000000040000000004000000000000080000000000200000000000000000000000000000000000000000000000002040000000000040000080000000000000000000000000000000000002000000000008000000000000000000000000000000000000000004000000000020000010000800000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€���`������ "�������`�������`�������`�������`�������`������� ������(�������(������� ���� � ���� � ������ ���� � ���� � ������ ���� � ���� � ������ ���� � ���� � ���� � ������`�������`�������`������� ������`�������(�������(�������������������������������� ��� � �� �� � �� �� �������������������������������������������B��������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:42:54Z</structure-indexed-at> </compound>