<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">4129</id>
  <title>T3D4075</title>
  <common-name>Methylconiine</common-name>
  <description>N-Methylconiine is a poisonous alkaloid found in poison hemlock in small quantities.</description>
  <cas>35305-13-6</cas>
  <pubchem-id>169683</pubchem-id>
  <chemical-formula>C9H19N</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>N-Methylconiine is a poisonous alkaloid found in poison hemlock in small quantities.</use-source>
  <min-risk-level nil="true"/>
  <health-effects nil="true"/>
  <symptoms nil="true"/>
  <treatment nil="true"/>
  <created-at type="dateTime">2014-08-29T05:03:14Z</created-at>
  <updated-at type="dateTime">2026-05-21T00:18:19Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia nil="true"/>
  <uniprot-id nil="true"/>
  <kegg-compound-id>C10159</kegg-compound-id>
  <omim-id nil="true"/>
  <chebi-id>CHEBI:32</chebi-id>
  <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(CCC)CCCCN1C</moldb-smiles>
  <moldb-formula>C9H19N</moldb-formula>
  <moldb-inchi>InChI=1S/C9H19N/c1-3-6-9-7-4-5-8-10(9)2/h9H,3-8H2,1-2H3/t9-/m0/s1</moldb-inchi>
  <moldb-inchikey>CUBHREGSQFAWDJ-VIFPVBQESA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">141.2539</moldb-average-mass>
  <moldb-mono-mass type="decimal">141.151749613</moldb-mono-mass>
  <origin>Exogenous</origin>
  <state>Solid</state>
  <logp nil="true"/>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id>148393</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>CHEM003035</chemdb-id>
  <dsstox-id>DTXSID10896911</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00075387</susdat-id>
  <iupac nil="true"/>
  <moldb-polar-surface-area>3.24</moldb-polar-surface-area>
  <moldb-refractivity>45.6739</moldb-refractivity>
  <moldb-polarizability>18.395584855746925</moldb-polarizability>
  <moldb-rotatable-bond-count>2</moldb-rotatable-bond-count>
  <moldb-acceptor-count>1</moldb-acceptor-count>
  <moldb-donor-count>0</moldb-donor-count>
  <moldb-pka-strongest-acidic nil="true"/>
  <moldb-pka-strongest-basic>10.306347315784153</moldb-pka-strongest-basic>
  <moldb-physiological-charge>1</moldb-physiological-charge>
  <moldb-number-of-rings>1</moldb-number-of-rings>
  <moldb-alogps-logp>2.88</moldb-alogps-logp>
  <moldb-alogps-logs>-1.66</moldb-alogps-logs>
  <moldb-alogps-solubility>3.07e+00 g/l</moldb-alogps-solubility>
</compound>
