302892 <common-name>[3-[bis(2-chloroethyl)amino]-4-methylphenyl]-morpholin-4-ylmethanone</common-name> <description>[3-[bis(2-chloroethyl)amino]-4-methylphenyl]-morpholin-4-ylmethanone belongs to the toluenes, a subclass of benzene and substituted derivatives within the organic compounds. It is a benzenoid with the formula C16H22Cl2N2O2 and an average molecular weight of 345.30 g/mol.</description> <cas>21447-39-2</cas> <pubchem-id>88904</pubchem-id> <chemical-formula>C16H22Cl2N2O2</chemical-formula> <weight>345.3</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">2026-08-28T19:58:45Z</created-at> <updated-at type="dateTime">2026-08-28T19:58:45Z</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>CC1=C(C=C(C=C1)C(=O)N2CCOCC2)N(CCCl)CCCl</moldb-smiles> <moldb-formula>C16H22Cl2N2O2</moldb-formula> <moldb-inchi>InChI=1S/C16H22Cl2N2O2/c1-13-2-3-14(16(21)20-8-10-22-11-9-20)12-15(13)19(6-4-17)7-5-18/h2-3,12H,4-11H2,1H3</moldb-inchi> <moldb-inchikey>SWMGZHSQTIHKNA-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">344.1058333</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>2.7</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>CHEM298785</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>[3-[bis(2-chloroethyl)amino]-4-methylphenyl]-morpholin-4-ylmethanone</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>Benzenoids</superklass> <klass>Benzene and substituted derivatives</klass> <subklass>Toluenes</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0254100</sync-id> <structure-inchikey>SWMGZHSQTIHKNA-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>100000000000000000800000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000004000001000000000000000000000002000000020800000000000000000000000000000000000010000000000000008104000000000020102020000000000000000000800000040000000000004000000000000000000000000000000000000000400000000000000000000000000084100048000000041008000008000008000000000000000000000000000000000000000000011104000002800000200000000000000000000000000000040000000000400000001000000000000004020000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€���`������@(������@(������@h�������@(������@h�������@h��������(�������(�������(�������`�������`������� ������`�������`�������(�������`�������`������� ������`�������`������� ����������h���h���h���h���h��� ��(�� � ������ � ���� ��������������������h�� �B������������ �� � ����������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:12:14Z</structure-indexed-at> </compound>