44596 <common-name>N-octyl-N′-[2-(octylamino)ethyl]ethylenediamine</common-name> <description nil="true"/> <cas>57413-95-3</cas> <pubchem-id>93665</pubchem-id> <chemical-formula>C20H45N3</chemical-formula> <weight>327.6</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">2016-06-03T10:58:30Z</created-at> <updated-at type="dateTime">2026-08-20T07:11:34Z</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>CCCCCCCCNCCNCCNCCCCCCCC</moldb-smiles> <moldb-formula>C20H45N3</moldb-formula> <moldb-inchi>InChI=1S/C20H45N3/c1-3-5-7-9-11-13-15-21-17-19-23-20-18-22-16-14-12-10-8-6-4-2/h21-23H,3-20H2,1-2H3</moldb-inchi> <moldb-inchikey>OXWFFWJKUNMMSO-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">327.601</moldb-average-mass> <moldb-mono-mass type="decimal">327.361348461</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>5.8</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>84548</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>CHEM043491</chemdb-id> <dsstox-id>DTXSID20275915</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin>COMMISSION REGULATION (EC) No 1451/2007 (ANNEX I)</stoff-ident-origin> <stoff-ident-id>SI00002634</stoff-ident-id> <susdat-id>NS00009488</susdat-id> <iupac>N-octyl-N'-[2-(octylamino)ethyl]ethane-1,2-diamine</iupac> <moldb-polar-surface-area>36.089999999999996</moldb-polar-surface-area> <moldb-refractivity>104.69739999999996</moldb-refractivity> <moldb-polarizability>46.64557535338612</moldb-polarizability> <moldb-rotatable-bond-count>20</moldb-rotatable-bond-count> <moldb-acceptor-count>3</moldb-acceptor-count> <moldb-donor-count>3</moldb-donor-count> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic>10.081361652138495</moldb-pka-strongest-basic> <moldb-physiological-charge>2</moldb-physiological-charge> <moldb-number-of-rings>0</moldb-number-of-rings> <moldb-alogps-logp>4.35</moldb-alogps-logp> <moldb-alogps-logs>-5.16</moldb-alogps-logs> <moldb-alogps-solubility>2.28e-03 g/l</moldb-alogps-solubility> <kingdom nil="true"/> <superklass nil="true"/> <klass nil="true"/> <subklass nil="true"/> </compound>