19024 <common-name>(1,1-Dimethylethyl)urea</common-name> <description nil="true"/> <cas>1118-12-3</cas> <pubchem-id>14233</pubchem-id> <chemical-formula>C5H12N2O</chemical-formula> <weight>116.16</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">2016-05-22T04:44:40Z</created-at> <updated-at type="dateTime">2026-04-16T22:13:43Z</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>CC(C)(C)NC(O)=N</moldb-smiles> <moldb-formula>C5H12N2O</moldb-formula> <moldb-inchi>InChI=1S/C5H12N2O/c1-5(2,3)7-4(6)8/h1-3H3,(H3,6,7,8)</moldb-inchi> <moldb-inchikey>JLEHSYHLHLHPAL-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">116.164</moldb-average-mass> <moldb-mono-mass type="decimal">116.094963014</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>13597</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>CHEM017919</chemdb-id> <dsstox-id>DTXSID0044365</dsstox-id> <toxcast-id>44365</toxcast-id> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00015750</susdat-id> <iupac nil="true"/> <moldb-polar-surface-area>56.11</moldb-polar-surface-area> <moldb-refractivity>42.7815</moldb-refractivity> <moldb-polarizability>12.68064699267329</moldb-polarizability> <moldb-rotatable-bond-count>1</moldb-rotatable-bond-count> <moldb-acceptor-count>3</moldb-acceptor-count> <moldb-donor-count>3</moldb-donor-count> <moldb-pka-strongest-acidic>0.21301463197326598</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>15.000000001347166</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>0</moldb-number-of-rings> <moldb-alogps-logp>0.41</moldb-alogps-logp> <moldb-alogps-logs>-1.22</moldb-alogps-logs> <moldb-alogps-solubility>7.06e+00 g/l</moldb-alogps-solubility> </compound>