<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">10254</id>
  <title nil="true"/>
  <common-name>N,N'-Bis(gamma-aminopropyl)diaminoethane</common-name>
  <description nil="true"/>
  <cas>10563-26-5</cas>
  <pubchem-id>25378</pubchem-id>
  <chemical-formula>C8H22N4</chemical-formula>
  <weight>174.29</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">2016-05-19T02:59:06Z</created-at>
  <updated-at type="dateTime">2026-08-24T18:21:48Z</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>NCCCNCCNCCCN</moldb-smiles>
  <moldb-formula>C8H22N4</moldb-formula>
  <moldb-inchi>InChI=1S/C8H22N4/c9-3-1-5-11-7-8-12-6-2-4-10/h11-12H,1-10H2</moldb-inchi>
  <moldb-inchikey>RXFCIXRFAJRBSG-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">174.292</moldb-average-mass>
  <moldb-mono-mass type="decimal">174.184446724</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>-1.8</logp>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id>23693</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>CHEM009149</chemdb-id>
  <dsstox-id>DTXSID2065127</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00019760</susdat-id>
  <iupac>N'-[2-(3-aminopropylamino)ethyl]propane-1,3-diamine</iupac>
  <moldb-polar-surface-area>76.1</moldb-polar-surface-area>
  <moldb-refractivity>53.048199999999994</moldb-refractivity>
  <moldb-polarizability>22.451035082271943</moldb-polarizability>
  <moldb-rotatable-bond-count>9</moldb-rotatable-bond-count>
  <moldb-acceptor-count>4</moldb-acceptor-count>
  <moldb-donor-count>4</moldb-donor-count>
  <moldb-pka-strongest-acidic nil="true"/>
  <moldb-pka-strongest-basic>10.59467334959747</moldb-pka-strongest-basic>
  <moldb-physiological-charge>3</moldb-physiological-charge>
  <moldb-number-of-rings>0</moldb-number-of-rings>
  <moldb-alogps-logp>-1.32</moldb-alogps-logp>
  <moldb-alogps-logs>-0.95</moldb-alogps-logs>
  <moldb-alogps-solubility>1.94e+01 g/l</moldb-alogps-solubility>
</compound>
