10513 <common-name>Ethanol, 2-[2-(3-aminopropoxy)ethoxy]-</common-name> <description nil="true"/> <cas>112-33-4</cas> <pubchem-id>66985</pubchem-id> <chemical-formula>C7H17NO3</chemical-formula> <weight>163.21</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">2016-05-19T03:04:27Z</created-at> <updated-at type="dateTime">2026-08-23T22:55:10Z</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>NCCCOCCOCCO</moldb-smiles> <moldb-formula>C7H17NO3</moldb-formula> <moldb-inchi>InChI=1S/C7H17NO3/c8-2-1-4-10-6-7-11-5-3-9/h9H,1-8H2</moldb-inchi> <moldb-inchikey>DCZMLYRQHBZWLZ-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">163.217</moldb-average-mass> <moldb-mono-mass type="decimal">163.120843411</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>-1.3</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>60343</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>CHEM009408</chemdb-id> <dsstox-id>DTXSID9059418</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00008113</susdat-id> <iupac>2-[2-(3-aminopropoxy)ethoxy]ethanol</iupac> <moldb-polar-surface-area>64.71000000000001</moldb-polar-surface-area> <moldb-refractivity>43.1635</moldb-refractivity> <moldb-polarizability>19.029733989053973</moldb-polarizability> <moldb-rotatable-bond-count>8</moldb-rotatable-bond-count> <moldb-acceptor-count>4</moldb-acceptor-count> <moldb-donor-count>2</moldb-donor-count> <moldb-pka-strongest-acidic>15.121160032778949</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>10.137502194175703</moldb-pka-strongest-basic> <moldb-physiological-charge>1</moldb-physiological-charge> <moldb-number-of-rings>0</moldb-number-of-rings> <moldb-alogps-logp>-0.73</moldb-alogps-logp> <moldb-alogps-logs>-0.04</moldb-alogps-logs> <moldb-alogps-solubility>1.48e+02 g/l</moldb-alogps-solubility> </compound>