284454 <common-name>2-chloro-n-(2-chloroethyl)-n-[(4-methoxy-3-nitrophenyl)methyl]ethanamine</common-name> <description>2-chloro-n-(2-chloroethyl)-n-[(4-methoxy-3-nitrophenyl)methyl]ethanamine belongs to the nitrobenzenes, a subclass of benzene and substituted derivatives within the organic compounds. It is a benzenoid with the formula C12H16Cl2N2O3 and an average molecular weight of 307.17 g/mol.</description> <cas nil="true"/> <pubchem-id>53822</pubchem-id> <chemical-formula>C12H16Cl2N2O3</chemical-formula> <weight>307.17</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">2026-08-27T20:05:34Z</created-at> <updated-at type="dateTime">2026-08-27T20:05:34Z</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>COC1=C(C=C(C=C1)CN(CCCl)CCCl)[N+](=O)[O-]</moldb-smiles> <moldb-formula>C12H16Cl2N2O3</moldb-formula> <moldb-inchi>InChI=1S/C12H16Cl2N2O3/c1-19-12-3-2-10(8-11(12)16(17)18)9-15(6-4-13)7-5-14/h2-3,8H,4-7,9H2,1H3</moldb-inchi> <moldb-inchikey>WLZNHKNDVNYJME-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">306.0537978</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>CHEM280347</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-chloro-n-(2-chloroethyl)-n-[(4-methoxy-3-nitrophenyl)methyl]ethanamine</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>Nitrobenzenes</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0236324</sync-id> <structure-inchikey>WLZNHKNDVNYJME-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>2000000000000000080020000000000000000000000000000000000000050000000000000020000000000200000000000000000000000000000000000001000000000000000000000000000000000002000000000010000180000000040000000000000000000024000000010c000000000002000000000001000000000000800000040000000000004000000000000000000001000000040000000000000000000000000000000000000080000000000000000008000000000000020000080000000000000000000000000000000000010000000000000000220000000000000000000000000000040000000000000000001001020000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€���`�������(������@(������@(������@h�������@(������@h�������@h��������`������� ������`�������`������� ������`�������`������� ����� *��������(������ *���ÿ�������� ��h���h���h���h���h����� � � ����� � ������� ��(��� ��h�B���������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:58:43Z</structure-indexed-at> </compound>