<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">4130</id>
  <title>T3D4076</title>
  <common-name>Pseudoconhydrine</common-name>
  <description>Pseudoconhydrine is a solid compound with the chemical formula C8H17NO and an average molecular weight of 143.23 g/mol. Pseudoconhydrine belongs to the alkaloids and derivatives, a superclass within the organic compounds. It is an exogenous piperidine alkaloid found in Conium.

The compound is associated with 13 recorded sources across several sectors. Within Electrical &amp; Electronic Equipment, it is found in cell phones, capacitors, wires and cables, batteries, and printed circuit boards, among one other source. It is present in synthetic textiles, carpets, and rugs within the textiles, leather &amp; furnishings sector. Other sources include food packaging in the food, food processing &amp; cookware sector, medical devices in the healthcare, pharmaceuticals &amp; veterinary products sector, and lubricants used in both the energy, oil &amp; gas and industrial manufacturing &amp; chemical processing sectors. One additional sector is also recorded. Recorded routes of exposure for pseudoconhydrine include oral, inhalation, and touch.</description>
  <cas>140-55-6</cas>
  <pubchem-id>120641</pubchem-id>
  <chemical-formula>C8H17NO</chemical-formula>
  <weight nil="true"/>
  <appearance>White powder.</appearance>
  <melting-point></melting-point>
  <boiling-point></boiling-point>
  <density nil="true"/>
  <solubility></solubility>
  <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>No indication of carcinogenicity to humans (not listed by IARC).</carcinogenicity>
  <use-source nil="true"/>
  <min-risk-level nil="true"/>
  <health-effects nil="true"/>
  <symptoms nil="true"/>
  <treatment nil="true"/>
  <created-at type="dateTime">2014-08-29T05:03:19Z</created-at>
  <updated-at type="dateTime">2026-05-21T02:11:40Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia>Conium maculatum</wikipedia>
  <uniprot-id nil="true"/>
  <kegg-compound-id>C10168</kegg-compound-id>
  <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>[H][C@]1(O)CC[C@]([H])(CCC)NC1</moldb-smiles>
  <moldb-formula>C8H17NO</moldb-formula>
  <moldb-inchi>InChI=1S/C8H17NO/c1-2-3-7-4-5-8(10)6-9-7/h7-10H,2-6H2,1H3/t7-,8-/m0/s1</moldb-inchi>
  <moldb-inchikey>BQSAUYXITCMAKS-YUMQZZPRSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">143.2267</moldb-average-mass>
  <moldb-mono-mass type="decimal">143.131014171</moldb-mono-mass>
  <origin>Exogenous</origin>
  <state>Solid</state>
  <logp nil="true"/>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id>107703</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></synthesis-reference>
  <structure-image-caption nil="true"/>
  <chemdb-id>CHEM003036</chemdb-id>
  <dsstox-id>DTXSID90161210</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00094833</susdat-id>
  <iupac nil="true"/>
  <moldb-polar-surface-area>32.26</moldb-polar-surface-area>
  <moldb-refractivity>41.7407</moldb-refractivity>
  <moldb-polarizability>17.060111116905567</moldb-polarizability>
  <moldb-rotatable-bond-count>2</moldb-rotatable-bond-count>
  <moldb-acceptor-count>2</moldb-acceptor-count>
  <moldb-donor-count>2</moldb-donor-count>
  <moldb-pka-strongest-acidic>14.894590516677514</moldb-pka-strongest-acidic>
  <moldb-pka-strongest-basic>9.975510665882116</moldb-pka-strongest-basic>
  <moldb-physiological-charge>1</moldb-physiological-charge>
  <moldb-number-of-rings>1</moldb-number-of-rings>
  <moldb-alogps-logp>1.06</moldb-alogps-logp>
  <moldb-alogps-logs>-0.37</moldb-alogps-logs>
  <moldb-alogps-solubility>6.17e+01 g/l</moldb-alogps-solubility>
  <kingdom>Organic compounds</kingdom>
  <superklass>Alkaloids and derivatives</superklass>
  <klass nil="true"/>
  <subklass nil="true"/>
  <paper-count type="integer">25</paper-count>
  <sync-id>CED0028094</sync-id>
  <structure-inchikey>BQSAUYXITCMAKS-YUMQZZPRSA-N</structure-inchikey>
  <structure-fingerprint>800000000000000000000000000000000000000000000000000002200000000000000000000000000000000000000000020000000000000000000000000000020000000000000000000000000000000000000000000000000020210000008000000000000000000000020000000000000004000000100000000040000000000000200000000000400000000000000000000000400000000000000004000000000000000000000000000000000000000000001000000000000000000000000000000000000000000000000000000004000000000000010000000000000000008000000000000000000000000000000000000010800000</structure-fingerprint>
  <structure-pattern-fingerprint>202000000000000002000000000080404000000200040000000044000004000800000000001000080000004200020000c20010000443000a0000080110000020000004000010000620000000001004000000200000420000001000c2000041000020000000000502000002000801005002004311800000011000240400000044000000800000008000000100c00024400000000000800000000000043000000004800000008000024201002c0000100400840000000080000021000000004040000000180020001400000000000000000400000000000080100000000080000000000004000000000000400000010004000220000010050000002</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ����������������
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  <structure-indexed-at type="dateTime">2026-09-19T04:01:05Z</structure-indexed-at>
</compound>
