291772 <common-name>8-chloro-n-methyl-n-prop-2-ynyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine</common-name> <description>8-chloro-n-methyl-n-prop-2-ynyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine belongs to the benzoxepines, a class of organoheterocyclic compounds within the organic compounds. This compound has the chemical formula C14H16ClNO and an average molecular weight of 249.73 g/mol.</description> <cas nil="true"/> <pubchem-id>37763</pubchem-id> <chemical-formula>C14H16ClNO</chemical-formula> <weight>249.73</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">2026-08-28T06:56:41Z</created-at> <updated-at type="dateTime">2026-08-28T06:56:41Z</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(CC#C)C1CCCOC2=C1C=CC(=C2)Cl</moldb-smiles> <moldb-formula>C14H16ClNO</moldb-formula> <moldb-inchi>InChI=1S/C14H16ClNO/c1-3-8-16(2)13-5-4-9-17-14-10-11(15)6-7-12(13)14/h1,6-7,10,13H,4-5,8-9H2,2H3</moldb-inchi> <moldb-inchikey>ZQWCYPIZJFMIAP-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">249.0920418</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>CHEM287665</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>8-chloro-n-methyl-n-prop-2-ynyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine</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>CED0243342</sync-id> <structure-inchikey>ZQWCYPIZJFMIAP-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>8000000000000000800000020000000000010400000000000080000000000000000000000000000000000002000000000200000000400000000000000000000000000200400000000000000000000000800020000000000002000000000004000000000080000000000000104000000010020000020000020000000000101801000040000000000000080000000000100000000000000000000000000000000000000404000000000000080000000000000000000008000080000000006000000000000000000000000000000000000010000000000000000200000000000000000000000000004040000000400000000000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAARAAAAEgAAAIABBgBgAAAAAQMHACAAAAAD BgBgAAAAAgIGACgAAAACBAYAaAAAAAIDAQYAYAAAAAMBBgBgAAAAAgIGAGAA AAACAgYAYAAAAAICCAAoAAAAAwIGQCgAAAADBAZAKAAAAAMEBkBoAAAAAwMB BkBoAAAAAwMBBkAoAAAAAwQGQGgAAAADAwERACAAAAABCwABAAECAAIDAAME CAMBBQAFBgAGBwAHCAAICQAJCiAKC2gMCwxoDAwNaAwNDmgMDg9oDA4QAAsF AA8KaAxCAgAAAAcFBgcICQoLBgwNDg8KCxcEAAAAAAAAABY= </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:04:04Z</structure-indexed-at> </compound>