43957 <common-name>pivalylbenzhydrazine</common-name> <description>pivalylbenzhydrazine is an organic compound with the formula C12H18N2O and an average molecular weight of 206.29 g/mol. pivalylbenzhydrazine belongs to the benzene and substituted derivatives, a class of benzenoids within the organic compounds. This substance has been identified in or released from two recorded sources, specifically electrodes and electrically stimulated smoking devices found in electrical and electronic equipment.</description> <cas>306-19-4</cas> <pubchem-id>9375</pubchem-id> <chemical-formula>C12H18N2O</chemical-formula> <weight>206.28</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">2016-06-03T10:20:09Z</created-at> <updated-at type="dateTime">2026-08-18T19:35:18Z</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>DB09252</drugbank-id> <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>[H]N(CC1=CC=CC=C1)N([H])C(=O)C(C)(C)C</moldb-smiles> <moldb-formula>C12H18N2O</moldb-formula> <moldb-inchi>InChI=1S/C12H18N2O/c1-12(2,3)11(15)14-13-9-10-7-5-4-6-8-10/h4-8,13H,9H2,1-3H3,(H,14,15)</moldb-inchi> <moldb-inchikey>FWWDFDMCZLOXQI-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">206.289</moldb-average-mass> <moldb-mono-mass type="decimal">206.141913208</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>2.42</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>9007</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>CHEM042852</chemdb-id> <dsstox-id>DTXSID50184667</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin>Oberacher 2011</stoff-ident-origin> <stoff-ident-id>SI00001340</stoff-ident-id> <susdat-id>NS00005903</susdat-id> <iupac>N'-benzyl-2,2-dimethylpropanehydrazide</iupac> <moldb-polar-surface-area>41.13</moldb-polar-surface-area> <moldb-refractivity>71.59250000000002</moldb-refractivity> <moldb-polarizability>23.28001508918415</moldb-polarizability> <moldb-rotatable-bond-count>4</moldb-rotatable-bond-count> <moldb-acceptor-count>2</moldb-acceptor-count> <moldb-donor-count>2</moldb-donor-count> <moldb-pka-strongest-acidic>12.913330794794167</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>3.405278352309588</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>1</moldb-number-of-rings> <moldb-alogps-logp>1.77</moldb-alogps-logp> <moldb-alogps-logs>-2.80</moldb-alogps-logs> <moldb-alogps-solubility>3.30e-01 g/l</moldb-alogps-solubility> <kingdom>Organic compounds</kingdom> <superklass>Benzenoids</superklass> <klass>Benzene and substituted derivatives</klass> <subklass nil="true"/> <paper-count type="integer">3</paper-count> <sync-id>CED0048849</sync-id> <structure-inchikey>FWWDFDMCZLOXQI-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>8000000020004000000000000000000000000000000100020000000200000000000000000000048000000000000000000000000000000000000000000000000000000000000200200000000000000000000000400000000000000100000000000000000000000000000000200000000000008000000000000000c0200000800000000000000080000000000100000000000000000000000000000000000080000000080000000000000000000000000080000000000000000000000000000000000000000000000000000000000000000220000000000000000000000000000040000000000400000000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€���0�������`������@(������@h�������@h�������@h�������@h�������@h��������8��������(�������(������� ������`�������`�������`��������������h���h���h���h���h����� (� ������ ������h�B���������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:11:40Z</structure-indexed-at> </compound>