290674 <common-name>6-methylbenzo[b][1,4]benzoxazepine</common-name> <description>6-methylbenzo[b][1,4]benzoxazepine belongs to the dibenzoxazepines, a subclass of benzoxazepines within the organic compounds. This organoheterocyclic compound has the chemical formula C14H11NO and an average molecular weight of 209.24 g/mol.</description> <cas>2868-49-7</cas> <pubchem-id>17870</pubchem-id> <chemical-formula>C14H11NO</chemical-formula> <weight>209.24</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">2026-08-28T04:32:02Z</created-at> <updated-at type="dateTime">2026-08-28T04:32:02Z</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>CC1=NC2=CC=CC=C2OC3=CC=CC=C13</moldb-smiles> <moldb-formula>C14H11NO</moldb-formula> <moldb-inchi>InChI=1S/C14H11NO/c1-10-11-6-2-4-8-13(11)16-14-9-5-3-7-12(14)15-10/h2-9H,1H3</moldb-inchi> <moldb-inchikey>YOEHNTZDRKGNJG-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">209.084064</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>2.9</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>CHEM286567</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>6-methylbenzo[b][1,4]benzoxazepine</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>Benzoxazepines</klass> <subklass>Dibenzoxazepines</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0242281</sync-id> <structure-inchikey>YOEHNTZDRKGNJG-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>100000000000000000000000000000000000000000000000000000000000000000008000002000000000000000800000000000000000000000000000000000000000000000000000800000000000000000000000000000000000000000000000000000000000000000010000800000000080000000000000000040000000800000000000000000000000000100000000000000000000002800000000000000000000080000000000000000000020004000000000000000000000000000000000000000000000000000000000002000000200000001000000200000000000000040001000400000000000000000000000000000080000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€���`�������(�������(������@(������@h�������@h�������@h�������@h�������@(�������(������@(������@h�������@h�������@h�������@h�������@(�����������(��� ��h���h���h���h���h�� �h���h�� h� �h���h��� ��h�� h�B��������� ����������� �� ����������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:03:14Z</structure-indexed-at> </compound>