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<compound>
  <id type="integer">19695</id>
  <title nil="true"/>
  <common-name>2-Aminoheptane sulfate</common-name>
  <description>2-Aminoheptane sulfate belongs to the organic sulfate salts, a class of organic salts within the organic compounds. This compound has the formula C14H36N2O4S and an average molecular weight of 328.51 g/mol.</description>
  <cas>6411-75-2</cas>
  <pubchem-id>44134533</pubchem-id>
  <chemical-formula>C14H36N2O4S</chemical-formula>
  <weight nil="true"/>
  <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">2016-05-22T05:22:03Z</created-at>
  <updated-at type="dateTime">2026-04-05T19:25:46Z</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>OS(O)(=O)=O.CCCCCC(C)N.CCCCCC(C)N</moldb-smiles>
  <moldb-formula>C14H36N2O4S</moldb-formula>
  <moldb-inchi>InChI=1S/2C7H17N.H2O4S/c2*1-3-4-5-6-7(2)8;1-5(2,3)4/h2*7H,3-6,8H2,1-2H3;(H2,1,2,3,4)</moldb-inchi>
  <moldb-inchikey>XKUUMWKWUZRRPD-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">328.51</moldb-average-mass>
  <moldb-mono-mass type="decimal">328.239578821</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp nil="true"/>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id>96401</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>CHEM018590</chemdb-id>
  <dsstox-id>DTXSID9045845</dsstox-id>
  <toxcast-id>45845</toxcast-id>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00082746</susdat-id>
  <iupac nil="true"/>
  <moldb-polar-surface-area>26.02</moldb-polar-surface-area>
  <moldb-refractivity>37.413199999999996</moldb-refractivity>
  <moldb-polarizability>15.626313725563094</moldb-polarizability>
  <moldb-rotatable-bond-count>8</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>10.430856124035103</moldb-pka-strongest-basic>
  <moldb-physiological-charge>1</moldb-physiological-charge>
  <moldb-number-of-rings>0</moldb-number-of-rings>
  <moldb-alogps-logp>2.46</moldb-alogps-logp>
  <moldb-alogps-logs>-1.54</moldb-alogps-logs>
  <moldb-alogps-solubility>3.29e+00 g/l</moldb-alogps-solubility>
  <kingdom>Organic compounds</kingdom>
  <superklass>Organic salts</superklass>
  <klass>Organic sulfate salts</klass>
  <subklass nil="true"/>
  <paper-count type="integer">14</paper-count>
  <sync-id>CED0032867</sync-id>
  <structure-inchikey>XKUUMWKWUZRRPD-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>40000000000000000000800000000000000000000000000000000000000000000000001002000000000000020000000000000000000000000000000000000000000000000000010000018000000000000020000000000000000000001000000000002020010000000000000000002000000000000000000000000000000000000000000040000000000000000000000000001200000000000000020000000000100000000000000000000000000000000000000008000000080000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000010000000000000000000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
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  <structure-indexed-at type="dateTime">2026-09-19T04:07:44Z</structure-indexed-at>
</compound>
