11597 <common-name>Ethanol, 2-(propylamino)-</common-name> <description nil="true"/> <cas>16369-21-4</cas> <pubchem-id>85382</pubchem-id> <chemical-formula>C5H13NO</chemical-formula> <weight>103.16</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">2016-05-19T03:23:08Z</created-at> <updated-at type="dateTime">2026-08-22T21:00:38Z</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>CCCNCCO</moldb-smiles> <moldb-formula>C5H13NO</moldb-formula> <moldb-inchi>InChI=1S/C5H13NO/c1-2-3-6-4-5-7/h6-7H,2-5H2,1H3</moldb-inchi> <moldb-inchikey>BCLSJHWBDUYDTR-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">103.165</moldb-average-mass> <moldb-mono-mass type="decimal">103.099714043</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>0</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>77005</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>CHEM010492</chemdb-id> <dsstox-id>DTXSID0066038</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00025345</susdat-id> <iupac>2-(propylamino)ethanol</iupac> <moldb-polar-surface-area>32.26</moldb-polar-surface-area> <moldb-refractivity>30.2583</moldb-refractivity> <moldb-polarizability>12.597930863690678</moldb-polarizability> <moldb-rotatable-bond-count>4</moldb-rotatable-bond-count> <moldb-acceptor-count>2</moldb-acceptor-count> <moldb-donor-count>2</moldb-donor-count> <moldb-pka-strongest-acidic>15.60224642124781</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>10.007875982118158</moldb-pka-strongest-basic> <moldb-physiological-charge>1</moldb-physiological-charge> <moldb-number-of-rings>0</moldb-number-of-rings> <moldb-alogps-logp>0.02</moldb-alogps-logp> <moldb-alogps-logs>0.63</moldb-alogps-logs> <moldb-alogps-solubility>4.41e+02 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">851</paper-count> <sync-id>CED0009119</sync-id> <structure-inchikey>BCLSJHWBDUYDTR-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>800000000000000000000000000000000002000000000000000002000000000000000000000000000000000004000000004000000000000000000000000000000000000000200000001000000000000010000000000000000020010200000000000000000000000000000000000000000000000800000000000040000000000000000000000080000000000000000000000000000000000000000020000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>20000000000000000000000000000040000000000400000000000000040000000000000000000000000040000000004000000004400000000000011000000000000000000000042000000000000000000020000000000000100002000000000000000000000102000000000001001002000111800000010000200400000040000000000000000000000100400020000000000000800000000000043000000000000000000000000000002c0000000000000000000000000000000000000000000000000000000000000000000000000000000000000080000000000080000000000000000000000000000000000000000000000000050000002</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€���`�������`�������`�������`�������`�������`�������`������������������������B��������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:04:34Z</structure-indexed-at> </compound>