<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">71607</id>
  <title nil="true"/>
  <common-name>Propanenitrile, 3-(dibutylamino)- (9CI)</common-name>
  <description nil="true"/>
  <cas>25726-99-2</cas>
  <pubchem-id>33155</pubchem-id>
  <chemical-formula>C11H22N2</chemical-formula>
  <weight>182.31</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">2026-04-03T19:33:01Z</created-at>
  <updated-at type="dateTime">2026-08-18T13:30:10Z</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>CCCCN(CCCC)CCC#N</moldb-smiles>
  <moldb-formula>C11H22N2</moldb-formula>
  <moldb-inchi>InChI=1S/C11H22N2/c1-3-5-9-13(10-6-4-2)11-7-8-12/h3-7,9-11H2,1-2H3</moldb-inchi>
  <moldb-inchikey>XNHGXTPCDNEDCH-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">182.311</moldb-average-mass>
  <moldb-mono-mass type="decimal">182.178299</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>2.5</logp>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id>30644</chemspider-id>
  <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>CHEM067500</chemdb-id>
  <dsstox-id>DTXSID60180413</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00027950</susdat-id>
  <iupac>3-(dibutylamino)propanenitrile</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>Amines</subklass>
  <paper-count type="integer">0</paper-count>
  <sync-id>CED0158010</sync-id>
  <structure-inchikey>XNHGXTPCDNEDCH-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>804000000000000000000000000000000000000008100000000002000000000000080000000000000004000000000000000000000000000000000000000000010000000000000000000020000000000000000000000000000220000000000000000000004000000000000000000000000000000000000000000040000000400000000000000000000800000000000000000000000000000000000000000000000000008000000000000000000000000000000000000000000000000400000000000000000000000000000000000000000000000000000200000000000000000000000000010000000001000000000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>20000000000000000200000000000000500000000004000000004400000400080000000000100000000000420000100041000000044300020000084110000000000000080000000420000000000004000000200000420000000000c2000000000020000000000500000002000001005000000111c00000010000200400000044000000800000008080000100400024400000000000800000000000003000000004000000008000004200002c0000000000800000000000000020000100004040000000080000000000200000000000000400000000000080000000000080000000000000000000000200800000010004000000000000050000002</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ�����������������������€���`�������`�������`�������`������� ������`�������`�������`�������`�������`�������`�������(�������(�������������������������������	�	
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������B��������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T04:20:48Z</structure-indexed-at>
</compound>
