44012 <common-name>amydricaine</common-name> <description>Amydricaine is an organic compound with the chemical formula C16H26N2O2 and an average molecular weight of 278.40 g/mol. Regarding its chemical classification, amydricaine belongs to the benzoic acids and derivatives, a subclass of benzene and substituted derivatives within the organic compounds. This substance is further categorized under the superclass of benzenoids. The compound has been identified in or released from nine recorded sources across various sectors. In the realm of electrical and electronic equipment, it is associated with television systems, relays, selectors, sparking plugs, and electrically stimulated smoking devices. Within the building and construction sector, it is found in tents or canopies as well as fencing. Additionally, amydricaine is present in household cleaning and consumer products, specifically in tobacco smoke filters and cigar cigarettes.</description> <cas>963-07-5</cas> <pubchem-id>12428</pubchem-id> <chemical-formula>C16H26N2O2</chemical-formula> <weight>278.39</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">2016-06-03T10:24:56Z</created-at> <updated-at type="dateTime">2026-08-19T17:28:28Z</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>CCC(CN(C)C)(CN(C)C)OC(=O)C1=CC=CC=C1</moldb-smiles> <moldb-formula>C16H26N2O2</moldb-formula> <moldb-inchi>InChI=1S/C16H26N2O2/c1-6-16(12-17(2)3,13-18(4)5)20-15(19)14-10-8-7-9-11-14/h7-11H,6,12-13H2,1-5H3</moldb-inchi> <moldb-inchikey>VEXNFKCQMGMBBJ-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">278.396</moldb-average-mass> <moldb-mono-mass type="decimal">278.199428085</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>2.6</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>11921</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>CHEM042907</chemdb-id> <dsstox-id>DTXSID70242192</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin>Oberacher 2011</stoff-ident-origin> <stoff-ident-id>SI00001554</stoff-ident-id> <susdat-id>NS00009784</susdat-id> <iupac>[1-(dimethylamino)-2-[(dimethylamino)methyl]butan-2-yl] benzoate</iupac> <moldb-polar-surface-area>32.78</moldb-polar-surface-area> <moldb-refractivity>82.95389999999999</moldb-refractivity> <moldb-polarizability>31.758901937641845</moldb-polarizability> <moldb-rotatable-bond-count>8</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>8.86399246208104</moldb-pka-strongest-basic> <moldb-physiological-charge>1</moldb-physiological-charge> <moldb-number-of-rings>1</moldb-number-of-rings> <moldb-alogps-logp>2.25</moldb-alogps-logp> <moldb-alogps-logs>-2.38</moldb-alogps-logs> <moldb-alogps-solubility>1.17e+00 g/l</moldb-alogps-solubility> <kingdom>Organic compounds</kingdom> <superklass>Benzenoids</superklass> <klass>Benzene and substituted derivatives</klass> <subklass>Benzoic acids and derivatives</subklass> <paper-count type="integer">23</paper-count> <sync-id>CED0028975</sync-id> <structure-inchikey>VEXNFKCQMGMBBJ-UHFFFAOYSA-N</structure-inchikey> 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EA8XBAAAAAAAAAAW </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:11:42Z</structure-indexed-at> </compound>