<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">45243</id>
  <title nil="true"/>
  <common-name>2-(N-ethylnonafluorobutanesulfonamido)ethyl N-[5-({[2-(N-ethylnonafluorobutanesulfonamido)ethoxy](hydroxy)methyl}amino)-2-methylphenyl]carbamate</common-name>
  <description>2-(N-ethylnonafluorobutanesulfonamido)ethyl N-[5-({[2-(N-ethylnonafluorobutanesulfonamido)ethoxy](hydroxy)methyl}amino)-2-methylphenyl]carbamate belongs to the amines, a subclass of organonitrogen compounds within the organic compounds. With an average molecular weight of 918.61 g/mol, 2-(N-ethylnonafluorobutanesulfonamido)ethyl N-[5-({[2-(N-ethylnonafluorobutanesulfonamido)ethoxy](hydroxy)methyl}amino)-2-methylphenyl]carbamate is a heavy molecule. It has the chemical formula C25H28F18N4O8S2.

This compound is found in or released from 13 recorded sources across several sectors. Within Electrical &amp; Electronic Equipment, it is associated with cell phones, capacitors, wires and cables, batteries, and printed circuit boards, among one other source. In the Textiles, leather &amp; 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 &amp; cookware sector. Additionally, the compound is found in medical devices from the Healthcare, pharmaceuticals &amp; veterinary products sector, and in lubricants used in both Energy, oil &amp; gas and Industrial manufacturing &amp; chemical processing. One further sector is also recorded. Recorded exposure routes for this substance include inhalation, oral, and touch.</description>
  <cas>68608-13-9</cas>
  <pubchem-id>481191206</pubchem-id>
  <chemical-formula>C25H28F18N4O8S2</chemical-formula>
  <weight nil="true"/>
  <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">2016-06-03T11:47:28Z</created-at>
  <updated-at type="dateTime">2026-03-31T18:42:04Z</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>CCN(CCOC(O)NC1=CC(N=C(O)OCCN(CC)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)=C(C)C=C1)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F</moldb-smiles>
  <moldb-formula>C25H28F18N4O8S2</moldb-formula>
  <moldb-inchi>InChI=1S/C25H28F18N4O8S2/c1-4-46(56(50,51)24(40,41)20(30,31)18(26,27)22(34,35)36)8-10-54-16(48)44-14-7-6-13(3)15(12-14)45-17(49)55-11-9-47(5-2)57(52,53)25(42,43)21(32,33)19(28,29)23(37,38)39/h6-7,12,16,44,48H,4-5,8-11H2,1-3H3,(H,45,49)</moldb-inchi>
  <moldb-inchikey>NSMGTPZGZBMGJW-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">918.61</moldb-average-mass>
  <moldb-mono-mass type="decimal">918.10611316</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp nil="true"/>
  <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>CHEM044138</chemdb-id>
  <dsstox-id>DTXSID50100367</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id>SI00005142</stoff-ident-id>
  <susdat-id>NS00010177</susdat-id>
  <iupac nil="true"/>
  <moldb-polar-surface-area>158.06999999999996</moldb-polar-surface-area>
  <moldb-refractivity>159.20890000000014</moldb-refractivity>
  <moldb-polarizability>66.69756909841436</moldb-polarizability>
  <moldb-rotatable-bond-count>21</moldb-rotatable-bond-count>
  <moldb-acceptor-count>10</moldb-acceptor-count>
  <moldb-donor-count>3</moldb-donor-count>
  <moldb-pka-strongest-acidic>2.8941973848549294</moldb-pka-strongest-acidic>
  <moldb-pka-strongest-basic>-2.4990532377922205</moldb-pka-strongest-basic>
  <moldb-physiological-charge>0</moldb-physiological-charge>
  <moldb-number-of-rings>1</moldb-number-of-rings>
  <moldb-alogps-logp>5.25</moldb-alogps-logp>
  <moldb-alogps-logs>-4.75</moldb-alogps-logs>
  <moldb-alogps-solubility>1.65e-02 g/l</moldb-alogps-solubility>
  <kingdom>Organic compounds</kingdom>
  <superklass>Organic nitrogen compounds</superklass>
  <klass>Organonitrogen compounds</klass>
  <subklass>Amines</subklass>
  <paper-count type="integer">0</paper-count>
  <sync-id>CED0160198</sync-id>
  <structure-inchikey>NSMGTPZGZBMGJW-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>40042000000000100000808000002000000010000000000100000000100000000400000002004008000000020000000004000000000000004000000000000000000000100000000000001000000000000020000000002500000004000000040000000002050000040010080000104200000008000800000000000000000000000000000040000000400000000000000080400000000200000000000000000000000000000000800000000000080102000010000000040000080000000000000000000000000000000004000000000000080000100002002100000202000000000000000000000104000040000000000000800001000000000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>7104c1c08f36c228e9ce17e583bae2bb98103c96b1b7a070a53ca2f6cb30ea4c64c301d011820c6c8d1a512800cd2926b5e00ba4428e7235515c7db9e3e26284cf11d6815ba01481819013c81af722026884c58071711fb7d114466244420fc7cff0652f096c16384088008edff480447c849ad2390de5a6f97a7453667199071a4c19885ff4e22a0c970a74483c06a8391c5b1acd439eba728e0ca162424f8443d712b331b2c2b808844c64937cf5d64fd9054289490ad058900af0cc62125ea63510b49ddff33a1d80bde27f1546990821207423207053cf785e282e08030cb93c6d341a8b9f2dd36c28019a1660a642d117b5c0e2060f73199252da7a2402</structure-pattern-fingerprint>
  <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAA5AAAAOQAAAIABBgBgAAAAAQMGAGAAAAAC
AgcAIAAAAAMGAGAAAAACAgYAYAAAAAICCAAgAAAAAgYAYAAAAAMBCABgAAAA
AQEHAGgAAAADAgEGQCgAAAADBAZAaAAAAAMDAQZAKAAAAAMEBwAoAAAAAwMG
ACgAAAADBAgAaAAAAAMBAQgAKAAAAAMCBgBgAAAAAgIGAGAAAAACAgcAIAAA
AAMGAGAAAAACAgYAYAAAAAEDEAAgAAAABggAKAAAAAMCCAAoAAAAAwIGACAA
AAAECQAgAAAAAQkAIAAAAAEGACAAAAAECQAgAAAAAQkAIAAAAAEGACAAAAAE
CQAgAAAAAQkAIAAAAAEGACAAAAAECQAgAAAAAQkAIAAAAAEJACAAAAABBkAo
AAAAAwQGAGAAAAABAwZAaAAAAAMDAQZAaAAAAAMDARAAIAAAAAYIACgAAAAD
AggAKAAAAAMCBgAgAAAABAkAIAAAAAEJACAAAAABBgAgAAAABAkAIAAAAAEJ
ACAAAAABBgAgAAAABAkAIAAAAAEJACAAAAABBgAgAAAABAkAIAAAAAEJACAA
AAABCQAgAAAAAQsAAQABAgACAwADBAAEBQAFBgAGBwAGCAAICSAJCmgMCgto
DAsMIAwNKAINDiANDyAPEAAQEQAREgASEwATFAASFQAVFggCFRcIAhUYABgZ
ABgaABgbABscABsdABseAB4fAB4gAB4hACEiACEjACEkAAslaAwlJgAlJ2gM
JyhoDAIpACkqCAIpKwgCKSwALC0ALC4ALC8ALzAALzEALzIAMjMAMjQAMjUA
NTYANTcANTgAKAloDEIBAAAABgkoJyULChcEAAAAAAAAABY=
</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T04:12:36Z</structure-indexed-at>
</compound>
