43893 <common-name>1,3,5-tris(2,3-dibromopropyl)-1,3,5-triazinane-2,4,6-trione</common-name> <description nil="true"/> <cas>52434-90-9</cas> <pubchem-id>103634</pubchem-id> <chemical-formula>C12H15Br6N3O3</chemical-formula> <weight>728.7</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">2016-06-03T10:11:47Z</created-at> <updated-at type="dateTime">2026-04-17T17:31:28Z</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>BrCC(Br)CN1C(=O)N(CC(Br)CBr)C(=O)N(CC(Br)CBr)C1=O</moldb-smiles> <moldb-formula>C12H15Br6N3O3</moldb-formula> <moldb-inchi>InChI=1S/C12H15Br6N3O3/c13-1-7(16)4-19-10(22)20(5-8(17)2-14)12(24)21(11(19)23)6-9(18)3-15/h7-9H,1-6H2</moldb-inchi> <moldb-inchikey>NZUPFZNVGSWLQC-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">728.694</moldb-average-mass> <moldb-mono-mass type="decimal">722.621369</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>93567</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>CHEM042788</chemdb-id> <dsstox-id>DTXSID9052713</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin>NORMAN list of candidate emerging substance - October 2013</stoff-ident-origin> <stoff-ident-id>SI00001139</stoff-ident-id> <susdat-id>NS00010025</susdat-id> <iupac nil="true"/> <moldb-polar-surface-area>60.93</moldb-polar-surface-area> <moldb-refractivity>112.38929999999995</moldb-refractivity> <moldb-polarizability>45.5275314838066</moldb-polarizability> <moldb-rotatable-bond-count>9</moldb-rotatable-bond-count> <moldb-acceptor-count>3</moldb-acceptor-count> <moldb-donor-count>0</moldb-donor-count> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic nil="true"/> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>1</moldb-number-of-rings> <moldb-alogps-logp>4.31</moldb-alogps-logp> <moldb-alogps-logs>-5.27</moldb-alogps-logs> <moldb-alogps-solubility>3.92e-03 g/l</moldb-alogps-solubility> </compound>