<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">292716</id>
  <title nil="true"/>
  <common-name>2-[(e)-(8-chloro-3,4-dihydro-2h-1-benzoxepin-5-ylidene)amino]oxy-n,n-dimethylethanamine</common-name>
  <description>2-[(e)-(8-chloro-3,4-dihydro-2h-1-benzoxepin-5-ylidene)amino]oxy-n,n-dimethylethanamine belongs to the benzoxepines, a class of organoheterocyclic compounds within the organic compounds. It has the chemical formula C14H19ClN2O2 and an average molecular weight of 282.76 g/mol.</description>
  <cas nil="true"/>
  <pubchem-id>6328258</pubchem-id>
  <chemical-formula>C14H19ClN2O2</chemical-formula>
  <weight>282.76</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">2026-08-28T08:00:45Z</created-at>
  <updated-at type="dateTime">2026-08-28T08:00:45Z</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>CN(C)CCON=C1CCCOC2=C1C=CC(=C2)Cl</moldb-smiles>
  <moldb-formula>C14H19ClN2O2</moldb-formula>
  <moldb-inchi>InChI=1S/C14H19ClN2O2/c1-17(2)7-9-19-16-13-4-3-8-18-14-10-11(15)5-6-12(13)14/h5-6,10H,3-4,7-9H2,1-2H3/b16-13+</moldb-inchi>
  <moldb-inchikey>MKWKMVKAHFDZMG-DTQAZKPQSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">282.1135055</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>3</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>CHEM288609</chemdb-id>
  <dsstox-id nil="true"/>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id nil="true"/>
  <iupac>2-[(e)-(8-chloro-3,4-dihydro-2h-1-benzoxepin-5-ylidene)amino]oxy-n,n-dimethylethanamine</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>Benzoxepines</klass>
  <subklass nil="true"/>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0244267</sync-id>
  <structure-inchikey>MKWKMVKAHFDZMG-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>48000000020000000800000020000000000000400000000000080000000000000020000000000000000008000000000000000001800400000000000000000000000000000400000000000000000000008800000800500000004000000000000000000008880000000200000104000000000020000020000000000000000100800000040000000000000000000000000100000000000000000000000000000000020000000000000000000080000000000000000000000000000000000004000000000000000000000200000000000000010000000000000200200000000000000000000000000000040010000400000000001010000000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAATAAAAFAAAAIABBgBgAAAAAQMHACAAAAAD
BgBgAAAAAQMGAGAAAAACAgYAYAAAAAICCAAoAAAAAwIHACgAAAADAwYAKAAA
AAMEBgBgAAAAAgIGAGAAAAACAgYAYAAAAAICCAAoAAAAAwIGQCgAAAADBAZA
KAAAAAMEBkBoAAAAAwMBBkBoAAAAAwMBBkAoAAAAAwQGQGgAAAADAwERACAA
AAABCwABAAECAAEDAAMEAAQFAAUGIAYHKAIHCAAICQAJCgAKCwALDCAMDWgM
DQ5oDA4PaAwPEGgMEBFoDBASAA0HIBEMaAxCAgAAAAcHCAkKCwwNBg4PEBEM
DRcEAAAAAAAAABY=
</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:04:51Z</structure-indexed-at>
</compound>
