21477 <common-name>1-(2-Hydroxyethyl)-3-methylimidazolium tetrafluoroborate</common-name> <description nil="true"/> <cas>374564-83-7</cas> <pubchem-id nil="true"/> <chemical-formula>C6H11BF4N2O</chemical-formula> <weight nil="true"/> <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">2016-05-22T07:02:49Z</created-at> <updated-at type="dateTime">2016-11-09T01:16:11Z</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>F[B-](F)(F)F.C[N+]1=CN(CCO)C=C1</moldb-smiles> <moldb-formula>C6H11BF4N2O</moldb-formula> <moldb-inchi>InChI=1S/C6H11N2O.BF4/c1-7-2-3-8(6-7)4-5-9;2-1(3,4)5/h2-3,6,9H,4-5H2,1H3;/q+1;-1</moldb-inchi> <moldb-inchikey>KLTUZFZUYLXTFF-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">213.97</moldb-average-mass> <moldb-mono-mass type="decimal">214.090056</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>CHEM020372</chemdb-id> <dsstox-id>DTXSID0049286</dsstox-id> <toxcast-id>49286</toxcast-id> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id nil="true"/> <iupac nil="true"/> <moldb-polar-surface-area>29.04</moldb-polar-surface-area> <moldb-refractivity>35.144999999999996</moldb-refractivity> <moldb-polarizability>14.009558324396908</moldb-polarizability> <moldb-rotatable-bond-count>2</moldb-rotatable-bond-count> <moldb-acceptor-count>1</moldb-acceptor-count> <moldb-donor-count>1</moldb-donor-count> <moldb-pka-strongest-acidic>15.450036323246174</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>-2.6019541122121224</moldb-pka-strongest-basic> <moldb-physiological-charge>1</moldb-physiological-charge> <moldb-number-of-rings>1</moldb-number-of-rings> <moldb-alogps-logp>2.46</moldb-alogps-logp> <moldb-alogps-logs>-4.31</moldb-alogps-logs> <moldb-alogps-solubility>1.05e-02 g/l</moldb-alogps-solubility> </compound>