130633 <common-name>Hexanoic acid, 2-ethyl-, compd. with 2,4,6-tris[(dimethylamino)methyl]phenol (3:1)</common-name> <description nil="true"/> <cas>4572-95-6</cas> <pubchem-id>107302</pubchem-id> <chemical-formula>C39H75N3O7</chemical-formula> <weight>698.0</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">2026-04-06T14:34:09Z</created-at> <updated-at type="dateTime">2026-04-17T17:16:16Z</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>CCCCC(CC)C(=O)O.CCCCC(CC)C(=O)O.CCCCC(CC)C(=O)O.CN(C)CC1=CC(=C(C(=C1)CN(C)C)O)CN(C)C</moldb-smiles> <moldb-formula>C39H75N3O7</moldb-formula> <moldb-inchi>InChI=1S/C15H27N3O.3C8H16O2/c1-16(2)9-12-7-13(10-17(3)4)15(19)14(8-12)11-18(5)6;3*1-3-5-6-7(4-2)8(9)10/h7-8,19H,9-11H2,1-6H3;3*7H,3-6H2,1-2H3,(H,9,10)</moldb-inchi> <moldb-inchikey>HTKGRPSAFVPIOU-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">698.043</moldb-average-mass> <moldb-mono-mass type="decimal">697.5605018</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <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>CHEM126526</chemdb-id> <dsstox-id>DTXSID00884089</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00128704</susdat-id> <iupac nil="true"/> <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"/> </compound>