11759 <common-name>Benzaldehyde, 4-(diethylamino)-2-hydroxy-</common-name> <description nil="true"/> <cas>17754-90-4</cas> <pubchem-id>87293</pubchem-id> <chemical-formula>C11H15NO2</chemical-formula> <weight>193.24</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">2016-05-19T03:26:00Z</created-at> <updated-at type="dateTime">2026-08-18T11:17:48Z</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>CCN(CC)C1=CC(O)=C(C=O)C=C1</moldb-smiles> <moldb-formula>C11H15NO2</moldb-formula> <moldb-inchi>InChI=1S/C11H15NO2/c1-3-12(4-2)10-6-5-9(8-13)11(14)7-10/h5-8,14H,3-4H2,1-2H3</moldb-inchi> <moldb-inchikey>XFVZSRRZZNLWBW-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">193.246</moldb-average-mass> <moldb-mono-mass type="decimal">193.110278727</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>2.4</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>68561</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>CHEM010654</chemdb-id> <dsstox-id>DTXSID5022271</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00025854</susdat-id> <iupac>4-(diethylamino)-2-hydroxybenzaldehyde</iupac> <moldb-polar-surface-area>40.540000000000006</moldb-polar-surface-area> <moldb-refractivity>58.548700000000004</moldb-refractivity> <moldb-polarizability>21.42720966049861</moldb-polarizability> <moldb-rotatable-bond-count>4</moldb-rotatable-bond-count> <moldb-acceptor-count>3</moldb-acceptor-count> <moldb-donor-count>1</moldb-donor-count> <moldb-pka-strongest-acidic>8.558073033630428</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>3.4596665567689597</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>1</moldb-number-of-rings> <moldb-alogps-logp>2.69</moldb-alogps-logp> <moldb-alogps-logs>-1.11</moldb-alogps-logs> <moldb-alogps-solubility>1.48e+01 g/l</moldb-alogps-solubility> <kingdom>Organic compounds</kingdom> <superklass>Organic oxygen compounds</superklass> <klass>Organooxygen compounds</klass> <subklass>Carbonyl compounds</subklass> <paper-count type="integer">9</paper-count> <sync-id>CED0036858</sync-id> <structure-inchikey>XFVZSRRZZNLWBW-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>8000080000000000000000000800000000000000000000010000020000000000000000000000000000000000000000000000000000000000000000000000000000000000000000200000000002000000000000000000000000000100000000000000001040000000000008000000c000000000080000000000004100010000c000000000000000000000000000000000000000000000000000000000000000000000080000000000000000000800000000000000000000000000000000002100000000000000000001000000000000000200000000000000000000000000000040000000000000800000000000000000000000000001</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€���`�������`�������(�������`�������`������@(������@h�������@(�������h�������@(�������h��������(������@h�������@h��������������������� ��h���h��� � h� �(� �h�� h� �h�B������ � ������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:04:37Z</structure-indexed-at> </compound>