45923 <common-name>N,N-diethyl-N',N'-dimethylpropan-1,3-diamine</common-name> <description nil="true"/> <cas>62478-82-4</cas> <pubchem-id>40429057</pubchem-id> <chemical-formula>C9H22N2</chemical-formula> <weight>158.28</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">2016-06-03T12:35:57Z</created-at> <updated-at type="dateTime">2026-08-25T16:07:15Z</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(C)C</moldb-smiles> <moldb-formula>C9H22N2</moldb-formula> <moldb-inchi>InChI=1S/C9H22N2/c1-5-11(6-2)9-7-8-10(3)4/h5-9H2,1-4H3</moldb-inchi> <moldb-inchikey>NVPUVLBCRYPSIO-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">158.289</moldb-average-mass> <moldb-mono-mass type="decimal">158.178298716</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>1.4</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>21613261</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>CHEM044818</chemdb-id> <dsstox-id>DTXSID60654361</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin>REACH</stoff-ident-origin> <stoff-ident-id>SI00006856</stoff-ident-id> <susdat-id>NS00002881</susdat-id> <iupac>N',N'-diethyl-N,N-dimethylpropane-1,3-diamine</iupac> <moldb-polar-surface-area>6.48</moldb-polar-surface-area> <moldb-refractivity>52.36980000000001</moldb-refractivity> <moldb-polarizability>20.950001845645264</moldb-polarizability> <moldb-rotatable-bond-count>6</moldb-rotatable-bond-count> <moldb-acceptor-count>2</moldb-acceptor-count> <moldb-donor-count>0</moldb-donor-count> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic>10.048693507003547</moldb-pka-strongest-basic> <moldb-physiological-charge>2</moldb-physiological-charge> <moldb-number-of-rings>0</moldb-number-of-rings> <moldb-alogps-logp>1.71</moldb-alogps-logp> <moldb-alogps-logs>-0.25</moldb-alogps-logs> <moldb-alogps-solubility>8.90e+01 g/l</moldb-alogps-solubility> <kingdom>Organic compounds</kingdom> <superklass>Organic nitrogen compounds</superklass> <klass>Organonitrogen compounds</klass> <subklass>Amines</subklass> <paper-count type="integer" nil="true"/> <sync-id nil="true"/> </compound>