<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">85176</id>
  <title nil="true"/>
  <common-name>1-Decylpyridinium chloride</common-name>
  <description>1-Decylpyridinium chloride belongs to the pyridinium derivatives, a subclass of pyridines and derivatives within the organic compounds. It is an organoheterocyclic compound with the formula C15H26N and an average molecular weight of 255.83 g/mol.</description>
  <cas>46746-05-8</cas>
  <pubchem-id>74160</pubchem-id>
  <chemical-formula>C15H26N</chemical-formula>
  <weight>220.37</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">2026-04-04T20:19:55Z</created-at>
  <updated-at type="dateTime">2026-08-19T12:48:17Z</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>[Cl-].CCCCCCCCCC[N+]1=CC=CC=C1</moldb-smiles>
  <moldb-formula>C15H26N</moldb-formula>
  <moldb-inchi>InChI=1/C15H26N.ClH/c1-2-3-4-5-6-7-8-10-13-16-14-11-9-12-15-16;/h9,11-12,14-15H,2-8,10,13H2,1H3;1H/q+1;/p-1</moldb-inchi>
  <moldb-inchikey>HJUPHPDWOUZDKH-UHFFFAOYSA-M</moldb-inchikey>
  <moldb-average-mass type="decimal">255.83</moldb-average-mass>
  <moldb-mono-mass type="decimal">220.2065248</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>5.4</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>CHEM081069</chemdb-id>
  <dsstox-id>DTXSID70883529</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00045246</susdat-id>
  <iupac>1-decylpyridin-1-ium</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>Organoheterocyclic compounds</superklass>
  <klass>Pyridines and derivatives</klass>
  <subklass>Pyridinium derivatives</subklass>
  <paper-count type="integer">16</paper-count>
  <sync-id>CED0031691</sync-id>
  <structure-inchikey>HJUPHPDWOUZDKH-UHFFFAOYSA-M</structure-inchikey>
  <structure-fingerprint>800000000000000000040100000000000000000000000000000002000000008000000000000004000000200000000001000000000000000000000000000000010000000000000000010000000000000001000000000000000020000400000000000000000000000000000000000000000000001000000000000040000000800000000000010000000000000000000000000000000000000000000000000000000000000000000000000008000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000002040000000010000000000000000000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€�� ����ÿ��`�������`�������`�������`�������`�������`�������`�������`�������`�������`������`*�������@h�������@h�������@h�������@h�������@h�����������������������������	�	
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  <structure-indexed-at type="dateTime">2026-09-19T04:30:05Z</structure-indexed-at>
</compound>
