68732 <common-name>1,3,5-Triazine, 1,3,5-tributylhexahydro-</common-name> <description>1,3,5-Triazine, 1,3,5-tributylhexahydro- belongs to the 1,3,5-triazinanes, a subclass of triazinanes within the organic compounds. It is classified as an organoheterocyclic compound with the formula C15H33N3. This substance has an average molecular weight of 255.45 g/mol.</description> <cas>13036-83-4</cas> <pubchem-id>83069</pubchem-id> <chemical-formula>C15H33N3</chemical-formula> <weight>255.44</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">2026-04-03T13:10:43Z</created-at> <updated-at type="dateTime">2026-08-19T13:17:08Z</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>CCCCN1CN(CCCC)CN(CCCC)C1</moldb-smiles> <moldb-formula>C15H33N3</moldb-formula> <moldb-inchi>InChI=1S/C15H33N3/c1-4-7-10-16-13-17(11-8-5-2)15-18(14-16)12-9-6-3/h4-15H2,1-3H3</moldb-inchi> <moldb-inchikey>OIQDTXAPPNRLAS-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">255.45</moldb-average-mass> <moldb-mono-mass type="decimal">255.267448</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>4.2</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>74941</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>CHEM064625</chemdb-id> <dsstox-id>DTXSID7065334</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00024104</susdat-id> <iupac>1,3,5-tributyl-1,3,5-triazinane</iupac> <moldb-polar-surface-area>9.72</moldb-polar-surface-area> <moldb-refractivity>80.1066</moldb-refractivity> <moldb-polarizability>34.25675856722206</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>5.741630282843231</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>1</moldb-number-of-rings> <moldb-alogps-logp>2.83</moldb-alogps-logp> <moldb-alogps-logs>-2.03</moldb-alogps-logs> <moldb-alogps-solubility>2.40e+00 g/l</moldb-alogps-solubility> <kingdom>Organic compounds</kingdom> <superklass>Organoheterocyclic compounds</superklass> <klass>Triazinanes</klass> <subklass>1,3,5-triazinanes</subklass> <paper-count type="integer">0</paper-count> <sync-id>CED0129851</sync-id> <structure-inchikey>OIQDTXAPPNRLAS-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>800000000000000000000000000000000000000000000000000002000000000000000000000020000000000000000000000000000000000000000000000000010000000000000004000000000000000000000000000000000020000000000000000000000000000000020100000000000000000000000000000040000000000000000000004000000000000000200000000000000000000000000000000000000000000000000000000000000000010000000000000000000000000000000000000000000000000000000000000000000000000000010000000000000000000000200000010000000000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAASAAAAEgAAAIABBgBgAAAAAQMGAGAAAAAC AgYAYAAAAAICBgBgAAAAAgIHACAAAAADBgBgAAAAAgIHACAAAAADBgBgAAAA AgIGAGAAAAACAgYAYAAAAAICBgBgAAAAAQMGAGAAAAACAgcAIAAAAAMGAGAA AAACAgYAYAAAAAICBgBgAAAAAgIGAGAAAAABAwYAYAAAAAICCwABAAECAAID AAMEAAQFAAUGAAYHAAcIAAgJAAkKAAYLAAsMAAwNAA0OAA4PAA8QAAwRABEE AEIBAAAABgQRDAsGBRcEAAAAAAAAABY= </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:18:37Z</structure-indexed-at> </compound>