<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">299302</id>
  <title nil="true"/>
  <common-name>2-[2-[bis(2-hydroxyethyl)-methylazaniumyl]ethyl-methylamino]ethyl-bis(2-hydroxyethyl)-methylazanium</common-name>
  <description>2-[2-[bis(2-hydroxyethyl)-methylazaniumyl]ethyl-methylamino]ethyl-bis(2-hydroxyethyl)-methylazanium belongs to the quaternary ammonium salts, a subclass of organonitrogen compounds within the organic compounds. This compound has the formula C15H37N3O4+2 and an average molecular weight of 323.47 g/mol. It is further classified as an organic nitrogen compound.</description>
  <cas nil="true"/>
  <pubchem-id>46932</pubchem-id>
  <chemical-formula>C15H37N3O4+2</chemical-formula>
  <weight>323.47</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">2026-08-28T15:48:07Z</created-at>
  <updated-at type="dateTime">2026-08-28T15:48:07Z</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>CN(CC[N+](C)(CCO)CCO)CC[N+](C)(CCO)CCO</moldb-smiles>
  <moldb-formula>C15H37N3O4+2</moldb-formula>
  <moldb-inchi>InChI=1S/C15H37N3O4/c1-16(4-6-17(2,8-12-19)9-13-20)5-7-18(3,10-14-21)11-15-22/h19-22H,4-15H2,1-3H3/q+2</moldb-inchi>
  <moldb-inchikey>BXHNOPPAFPSNJI-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">323.2784067</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>-2.4</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>CHEM295195</chemdb-id>
  <dsstox-id nil="true"/>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id nil="true"/>
  <iupac>2-[2-[bis(2-hydroxyethyl)-methylazaniumyl]ethyl-methylamino]ethyl-bis(2-hydroxyethyl)-methylazanium</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 nitrogen compounds</superklass>
  <klass>Organonitrogen compounds</klass>
  <subklass>Quaternary ammonium salts</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0250619</sync-id>
  <structure-inchikey>BXHNOPPAFPSNJI-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>800000000000000000000000000000000002000000000000000000000000000000000000001000000002000000000000004200000000000000000000000000000000000008000000000004000000000000000000000000000000010000000000000000004000000040000000000000000000000000000000000040000000000000000000000000100000000000000000080000000000000000000000000000000000000000000000000000000000020010000000000000000000000000000000000080000000000020000000000000000000000000000000000000000000000000000000000000000001000000000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���`������� ������`�������`������ "�������`�������`�������`�������`�������`�������`�������`�������`�������`������ "�������`�������`�������`�������`�������`�������`�������`�������������������������������	�	
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  <structure-indexed-at type="dateTime">2026-09-19T05:09:41Z</structure-indexed-at>
</compound>
