<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">5231</id>
  <title nil="true"/>
  <common-name>n-Propylamine</common-name>
  <description nil="true"/>
  <cas>107-10-8</cas>
  <pubchem-id>7852</pubchem-id>
  <chemical-formula>C3H9N</chemical-formula>
  <weight>59.11</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">2016-05-19T01:35:23Z</created-at>
  <updated-at type="dateTime">2026-04-16T21:11:41Z</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>CCCN</moldb-smiles>
  <moldb-formula>C3H9N</moldb-formula>
  <moldb-inchi>InChI=1S/C3H9N/c1-2-3-4/h2-4H2,1H3</moldb-inchi>
  <moldb-inchikey>WGYKZJWCGVVSQN-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">59.1103</moldb-average-mass>
  <moldb-mono-mass type="decimal">59.073499293</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp nil="true"/>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id>7564</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>CHEM004126</chemdb-id>
  <dsstox-id>DTXSID6021878</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00002355</susdat-id>
  <iupac nil="true"/>
  <moldb-polar-surface-area>26.02</moldb-polar-surface-area>
  <moldb-refractivity>19.1914</moldb-refractivity>
  <moldb-polarizability>7.6834778751124135</moldb-polarizability>
  <moldb-rotatable-bond-count>1</moldb-rotatable-bond-count>
  <moldb-acceptor-count>1</moldb-acceptor-count>
  <moldb-donor-count>1</moldb-donor-count>
  <moldb-pka-strongest-acidic nil="true"/>
  <moldb-pka-strongest-basic>10.213644595616284</moldb-pka-strongest-basic>
  <moldb-physiological-charge>1</moldb-physiological-charge>
  <moldb-number-of-rings>0</moldb-number-of-rings>
  <moldb-alogps-logp>0.31</moldb-alogps-logp>
  <moldb-alogps-logs>0.59</moldb-alogps-logs>
  <moldb-alogps-solubility>2.33e+02 g/l</moldb-alogps-solubility>
</compound>
