10211 <common-name>N,N-Diethyltrimethylenediamine</common-name> <description nil="true"/> <cas>104-78-9</cas> <pubchem-id>61011</pubchem-id> <chemical-formula>C7H18N2</chemical-formula> <weight>130.23</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">2016-05-19T02:58:15Z</created-at> <updated-at type="dateTime">2026-08-23T22:58:07Z</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)CCCN</moldb-smiles> <moldb-formula>C7H18N2</moldb-formula> <moldb-inchi>InChI=1S/C7H18N2/c1-3-9(4-2)7-5-6-8/h3-8H2,1-2H3</moldb-inchi> <moldb-inchikey>QOHMWDJIBGVPIF-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">130.235</moldb-average-mass> <moldb-mono-mass type="decimal">130.146998588</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>0.4</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>54972</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>CHEM009106</chemdb-id> <dsstox-id>DTXSID7059303</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00002822</susdat-id> <iupac>N',N'-diethylpropane-1,3-diamine</iupac> <moldb-polar-surface-area>29.259999999999998</moldb-polar-surface-area> <moldb-refractivity>42.3005</moldb-refractivity> <moldb-polarizability>16.950263325306494</moldb-polarizability> <moldb-rotatable-bond-count>5</moldb-rotatable-bond-count> <moldb-acceptor-count>2</moldb-acceptor-count> <moldb-donor-count>1</moldb-donor-count> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic>10.506093068076696</moldb-pka-strongest-basic> <moldb-physiological-charge>2</moldb-physiological-charge> <moldb-number-of-rings>0</moldb-number-of-rings> <moldb-alogps-logp>0.73</moldb-alogps-logp> <moldb-alogps-logs>0.37</moldb-alogps-logs> <moldb-alogps-solubility>3.06e+02 g/l</moldb-alogps-solubility> </compound>