79467 <common-name>2'-Chloroethyl 3-amino-4-methylbenzoate</common-name> <description>2'-Chloroethyl 3-amino-4-methylbenzoate belongs to the benzoic acids and derivatives, a subclass of benzene and substituted derivatives within the organic compounds. This benzenoid compound has the formula C10H12Cl1N1O2 and an average molecular weight of 213.66 g/mol.</description> <cas>83488-00-0</cas> <pubchem-id>21889406</pubchem-id> <chemical-formula>C10H12Cl1N1O2</chemical-formula> <weight nil="true"/> <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">2026-04-04T14:20:00Z</created-at> <updated-at type="dateTime">2026-04-04T14:20:00Z</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(N)C=C(C=C1)C(=O)OCCCl</moldb-smiles> <moldb-formula>C10H12Cl1N1O2</moldb-formula> <moldb-inchi>InChI=1S/C10H12ClNO2/c1-7-2-3-8(6-9(7)12)10(13)14-5-4-11/h2-3,6H,4-5,12H2,1H3</moldb-inchi> <moldb-inchikey>LBGGAUWOOUUZMV-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">213.66</moldb-average-mass> <moldb-mono-mass type="decimal">213.055656</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>10637652</chemspider-id> <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>CHEM075360</chemdb-id> <dsstox-id>DTXSID90232373</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00038255</susdat-id> <iupac>2-chloroethyl 3-amino-4-methylbenzoate</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>Benzoic acids and derivatives</subklass> <paper-count type="integer">1</paper-count> <sync-id>CED0062656</sync-id> <structure-inchikey>LBGGAUWOOUUZMV-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>4000000800000000080000000000000005000000000000000000000000000000000400000000000000000000000000000000000000000000004000000000000000000000000000000000000000000002000000000010000000000000000000000000001000000000000000010000000020000000000000000000000000000000000004000000000000400000000000000100000000000000000000000000000000200000000000000000008410000000000000000c000000000000000200000000000000000800000000000000000000010104000002000000200000000000000000000000800000040000000000400000000000000000000000000000080</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�B���������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:26:39Z</structure-indexed-at> </compound>