<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">20739</id>
  <title nil="true"/>
  <common-name>Phenmetrazine hydrochloride</common-name>
  <description>Phenmetrazine hydrochloride is an organic compound with the formula C11H16ClNO and an average molecular weight of 213.70 g/mol. Phenmetrazine hydrochloride belongs to the morpholines, a subclass of oxazinanes within the organic compounds. This substance is identified as being found in or released from one recorded source: electrical and electronic equipment, specifically antennas.</description>
  <cas>1707-14-8</cas>
  <pubchem-id nil="true"/>
  <chemical-formula>C11H16ClNO</chemical-formula>
  <weight nil="true"/>
  <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">2016-05-22T06:21:13Z</created-at>
  <updated-at type="dateTime">2026-04-05T19:25:49Z</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.CC1NCCOC1C1=CC=CC=C1</moldb-smiles>
  <moldb-formula>C11H16ClNO</moldb-formula>
  <moldb-inchi>InChI=1S/C11H15NO.ClH/c1-9-11(13-8-7-12-9)10-5-3-2-4-6-10;/h2-6,9,11-12H,7-8H2,1H3;1H</moldb-inchi>
  <moldb-inchikey>VJNXVAVKCZJOFQ-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">213.704</moldb-average-mass>
  <moldb-mono-mass type="decimal">213.092041846</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp nil="true"/>
  <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>CHEM019634</chemdb-id>
  <dsstox-id>DTXSID0047822</dsstox-id>
  <toxcast-id>47822</toxcast-id>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00082749</susdat-id>
  <iupac nil="true"/>
  <moldb-polar-surface-area>21.259999999999998</moldb-polar-surface-area>
  <moldb-refractivity>52.469500000000004</moldb-refractivity>
  <moldb-polarizability>20.18283680539145</moldb-polarizability>
  <moldb-rotatable-bond-count>1</moldb-rotatable-bond-count>
  <moldb-acceptor-count>2</moldb-acceptor-count>
  <moldb-donor-count>1</moldb-donor-count>
  <moldb-pka-strongest-acidic nil="true"/>
  <moldb-pka-strongest-basic>8.222129279868874</moldb-pka-strongest-basic>
  <moldb-physiological-charge>1</moldb-physiological-charge>
  <moldb-number-of-rings>2</moldb-number-of-rings>
  <moldb-alogps-logp>1.45</moldb-alogps-logp>
  <moldb-alogps-logs>-1.86</moldb-alogps-logs>
  <moldb-alogps-solubility>2.44e+00 g/l</moldb-alogps-solubility>
  <kingdom>Organic compounds</kingdom>
  <superklass>Organoheterocyclic compounds</superklass>
  <klass>Oxazinanes</klass>
  <subklass>Morpholines</subklass>
  <paper-count type="integer">686</paper-count>
  <sync-id>CED0009884</sync-id>
  <structure-inchikey>VJNXVAVKCZJOFQ-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>4000000000001000000004000000000000000000000000000000000000000000000000000000000000000000800000000000000000000000000000000000200000000000000000000002000000020000020000000000000000100000000040000000800000200000004000000000008100000000000000000001000000040000000000000000080000000000000000000000000000001000000020000000000000001040000000000001000000000000000000000200000000000000000000000040000040000000000000000000000000000000010000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���@������`�������`�������`�������`�������`������� ������`������@(������@h�������@h�������@h�������@h�������@h�����������������������������	h�	
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  <structure-indexed-at type="dateTime">2026-09-19T04:08:15Z</structure-indexed-at>
</compound>
