<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2026-04-06 06:14:16 UTC</creation_date>
  <update_date>2026-05-21 05:39:21 UTC</update_date>
  <accession/>
  <common_name>Sodium 3-(methyl{3-[(tridecafluorohexyl)amino]propyl}amino)propane-1-sulfonate</common_name>
  <class>SmallMolecule</class>
  <description>Sodium 3-(methyl{3-[(tridecafluorohexyl)amino]propyl}amino)propane-1-sulfonate 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 550.31 g/mol, Sodium 3-(methyl{3-[(tridecafluorohexyl)amino]propyl}amino)propane-1-sulfonate is a heavy molecule. This compound is characterized by the chemical formula C13H16F13N2NaO3S.

The substance is found in or released from 13 recorded sources across multiple sectors. In the area of electrical and electronic equipment, it is associated with capacitors, cell phones, printed circuit boards, batteries, wires and cables, and one additional source. Within the textiles, leather and furnishings sector, it is linked to carpets, rugs, and synthetic textiles. Its presence is also noted in food packaging for the food, food processing and cookware sector, and in medical devices for the healthcare, pharmaceuticals and veterinary products sector. Additionally, it is utilized as lubricants within both the energy, oil and gas sector and the industrial manufacturing and chemical processing sector, as well as one other sector. Recorded exposure routes for this compound include oral, inhalation, and touch.</description>
  <categories/>
  <types>
    <type>PFAS</type>
  </types>
  <synonyms/>
  <chemical_formula>C13H16F13N2NaO3S</chemical_formula>
  <average_molecular_weight>550.31</average_molecular_weight>
  <monisotopic_moleculate_weight>550.0571745</monisotopic_moleculate_weight>
  <iupac_name/>
  <traditional_iupac/>
  <cas_registry_number>94492-37-2</cas_registry_number>
  <smiles>[Na+].CN(CCCNC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CCCS([O-])(=O)=O</smiles>
  <inchi>InChI=1S/C13H17F13N2O3S.Na/c1-28(6-3-7-32(29,30)31)5-2-4-27-13(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);/q;+1/p-1</inchi>
  <inchikey>UKHHAWKJZOAOFX-UHFFFAOYSA-M</inchikey>
  <taxonomy>
    <kingdom/>
    <super_class/>
    <class/>
    <sub_class/>
    <direct_parent/>
    <alternate_parents/>
    <substituents/>
    <molecular_framework/>
    <descriptors/>
  </taxonomy>
  <status>Detected and Not Quantified</status>
  <origin/>
  <cellular_locations/>
  <biofluid_locations/>
  <tissue_locations/>
  <pathways/>
  <state/>
  <appearance/>
  <experimental_properties/>
  <predicted_properties>
    <property>
      <kind>average_mass</kind>
      <value>550.31</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>550.0571745</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>[Na+].CN(CCCNC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CCCS([O-])(=O)=O</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C13H16F13N2NaO3S</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C13H17F13N2O3S.Na/c1-28(6-3-7-32(29,30)31)5-2-4-27-13(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);/q;+1/p-1</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>UKHHAWKJZOAOFX-UHFFFAOYSA-M</value>
      <source>ChemAxon</source>
    </property>
  </predicted_properties>
  <route_of_exposure/>
  <mechanism_of_toxicity/>
  <metabolism/>
  <toxicity/>
  <lethaldose/>
  <carcinogenicity/>
  <use_source/>
  <min_risk_level/>
  <health_effects>#&lt;HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f722403aaa0&gt;</health_effects>
  <symptoms/>
  <treatment/>
  <drugbank_id/>
  <hmdb_id/>
  <pubchem_compound_id>138396481</pubchem_compound_id>
  <chembl_id/>
  <chemspider_id>95600309</chemspider_id>
  <kegg_id/>
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  <chebi_id/>
  <biocyc_id/>
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  <wikipidia/>
  <general_references/>
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</compound>
