<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">282547</id>
  <title nil="true"/>
  <common-name>4-propylheptan-3-yl carbamate</common-name>
  <description>4-propylheptan-3-yl carbamate belongs to the amino acids, peptides, and analogues, a subclass of carboxylic acids and derivatives within the organic compounds. This compound has the chemical formula C11H23NO2 and an average molecular weight of 201.31 g/mol. It is further classified under the superclass of organic acids and derivatives.</description>
  <cas>51864-94-9</cas>
  <pubchem-id>3040242</pubchem-id>
  <chemical-formula>C11H23NO2</chemical-formula>
  <weight>201.31</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">2026-08-27T18:02:25Z</created-at>
  <updated-at type="dateTime">2026-08-27T18:02:25Z</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>CCCC(CCC)C(CC)OC(=O)N</moldb-smiles>
  <moldb-formula>C11H23NO2</moldb-formula>
  <moldb-inchi>InChI=1S/C11H23NO2/c1-4-7-9(8-5-2)10(6-3)14-11(12)13/h9-10H,4-8H2,1-3H3,(H2,12,13)</moldb-inchi>
  <moldb-inchikey>JEBLPNCAYFNVJX-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">201.172879</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>3.6</logp>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id nil="true"/>
  <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>CHEM278440</chemdb-id>
  <dsstox-id nil="true"/>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id nil="true"/>
  <iupac>4-propylheptan-3-yl carbamate</iupac>
  <moldb-polar-surface-area nil="true"/>
  <moldb-refractivity nil="true"/>
  <moldb-polarizability nil="true"/>
  <moldb-rotatable-bond-count nil="true"/>
  <moldb-acceptor-count nil="true"/>
  <moldb-donor-count nil="true"/>
  <moldb-pka-strongest-acidic nil="true"/>
  <moldb-pka-strongest-basic nil="true"/>
  <moldb-physiological-charge nil="true"/>
  <moldb-number-of-rings nil="true"/>
  <moldb-alogps-logp nil="true"/>
  <moldb-alogps-logs nil="true"/>
  <moldb-alogps-solubility nil="true"/>
  <kingdom>Organic compounds</kingdom>
  <superklass>Organic acids and derivatives</superklass>
  <klass>Carboxylic acids and derivatives</klass>
  <subklass>Amino acids, peptides, and analogues</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0234487</sync-id>
  <structure-inchikey>JEBLPNCAYFNVJX-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>40010000000000000400800000000000000800000000000000000000000100000000000002000000000000008000000000000000000000000000000000000000000000000000000000000000000000000020000000000100000020001000000000000020010000000000000000000000000000000000000000000000000000000000000040000000000000000000000000001000000000000000000100400000000000000000000000000000000000000004000000000000000000000100000000800000000000000000000000000000000000000000000000000000000000000000000080000000000000000000000400000000000000000000000020000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ�����������������������€���`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������(�������(�������(�������h��������������������������������	��
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  <structure-indexed-at type="dateTime">2026-09-19T04:57:19Z</structure-indexed-at>
</compound>
