<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">345702</id>
  <title nil="true"/>
  <common-name>Diethyl-bis[3-oxo-3-[2-(triethylazaniumyl)ethoxy]propyl]azanium</common-name>
  <description>Diethyl-bis[3-oxo-3-[2-(triethylazaniumyl)ethoxy]propyl]azanium is a compound with the formula C26H56N3O4+3. It has an average molecular weight of 474.70 g/mol.</description>
  <cas nil="true"/>
  <pubchem-id>28260</pubchem-id>
  <chemical-formula>C26H56N3O4+3</chemical-formula>
  <weight>474.7</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">2026-08-31T08:39:41Z</created-at>
  <updated-at type="dateTime">2026-08-31T08:39:41Z</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>CC[N+](CC)(CC)CCOC(=O)CC[N+](CC)(CC)CCC(=O)OCC[N+](CC)(CC)CC</moldb-smiles>
  <moldb-formula>C26H56N3O4+3</moldb-formula>
  <moldb-inchi>InChI=1S/C26H56N3O4/c1-9-27(10-2,11-3)21-23-32-25(30)17-19-29(15-7,16-8)20-18-26(31)33-24-22-28(12-4,13-5)14-6/h9-24H2,1-8H3/q+3</moldb-inchi>
  <moldb-inchikey>MAWHMZLWPSPTGN-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">474.4270823</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>3</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>CHEM341595</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>Diethyl-bis[3-oxo-3-[2-(triethylazaniumyl)ethoxy]propyl]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>Carboxylic acids and derivatives</klass>
  <subklass>Dicarboxylic acids and derivatives</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0296058</sync-id>
  <structure-inchikey>MAWHMZLWPSPTGN-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>40000000000000000800000000800000010000000000000000000100000000040000002040000000000000000000000000002100800000000000000000000000000000000000000000000000000000020000004000100000000000000000020000010010000000000000000000000000040000000000000000000000000000020000040000000000000000000000000000000000000000000000000000000000000000000000000000000002000000000000000000000000000000000040000000008000000000000000000000000000000000000000000000000000000000000000000000000000000000000000400000000000000000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ����������������!��� ���€���`�������`������ "�������`�������`�������`�������`�������`�������`�������(�������(�������(�������`�������`������ "�������`�������`�������`�������`�������`�������`�������(�������(�������(�������`�������`������ "�������`�������`�������`�������`�������`�������`�������������������������������	�	
 
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  <structure-indexed-at type="dateTime">2026-09-19T05:44:40Z</structure-indexed-at>
</compound>
