10287 <common-name>Benzenamine, 4,4'-methylenebis[3-chloro-2,6-diethyl-</common-name> <description nil="true"/> <cas>106246-33-7</cas> <pubchem-id>86261</pubchem-id> <chemical-formula>C21H28Cl2N2</chemical-formula> <weight>379.4</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">2016-05-19T02:59:40Z</created-at> <updated-at type="dateTime">2026-04-16T21:09:58Z</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>CCC1=CC(CC2=C(Cl)C(CC)=C(N)C(CC)=C2)=C(Cl)C(CC)=C1N</moldb-smiles> <moldb-formula>C21H28Cl2N2</moldb-formula> <moldb-inchi>InChI=1S/C21H28Cl2N2/c1-5-12-9-14(18(22)16(7-3)20(12)24)11-15-10-13(6-2)21(25)17(8-4)19(15)23/h9-10H,5-8,11,24-25H2,1-4H3</moldb-inchi> <moldb-inchikey>VIOMIGLBMQVNLY-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">379.37</moldb-average-mass> <moldb-mono-mass type="decimal">378.1629543</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>77804</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>CHEM009182</chemdb-id> <dsstox-id>DTXSID0073031</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00019634</susdat-id> <iupac nil="true"/> <moldb-polar-surface-area>52.04</moldb-polar-surface-area> <moldb-refractivity>113.37439999999994</moldb-refractivity> <moldb-polarizability>41.765699712106645</moldb-polarizability> <moldb-rotatable-bond-count>6</moldb-rotatable-bond-count> <moldb-acceptor-count>2</moldb-acceptor-count> <moldb-donor-count>2</moldb-donor-count> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic>3.5607860807994878</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>2</moldb-number-of-rings> <moldb-alogps-logp>6.33</moldb-alogps-logp> <moldb-alogps-logs>-6.84</moldb-alogps-logs> <moldb-alogps-solubility>5.48e-05 g/l</moldb-alogps-solubility> </compound>