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<compound>
  <id type="integer">44889</id>
  <title nil="true"/>
  <common-name>2-Amino-1-(3,4-methylen-dioxyphenyl)-butan (BDB)</common-name>
  <description>2-Amino-1-(3,4-methylen-dioxyphenyl)-butan (BDB) belongs to the benzodioxoles, a class of organoheterocyclic compounds within the organic compounds. This compound has the chemical formula C11H15NO2 and an average molecular weight of 193.25 g/mol.</description>
  <cas>107447-03-0</cas>
  <pubchem-id>129870</pubchem-id>
  <chemical-formula>C11H15NO2</chemical-formula>
  <weight>193.24</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">2016-06-03T11:16:02Z</created-at>
  <updated-at type="dateTime">2026-08-18T11:17:37Z</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>CCC(N)CC1=CC2=C(OCO2)C=C1</moldb-smiles>
  <moldb-formula>C11H15NO2</moldb-formula>
  <moldb-inchi>InChI=1S/C11H15NO2/c1-2-9(12)5-8-3-4-10-11(6-8)14-7-13-10/h3-4,6,9H,2,5,7,12H2,1H3</moldb-inchi>
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  <moldb-average-mass type="decimal">193.246</moldb-average-mass>
  <moldb-mono-mass type="decimal">193.110278727</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>2.2</logp>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id>114963</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>CHEM043784</chemdb-id>
  <dsstox-id nil="true"/>
  <toxcast-id nil="true"/>
  <stoff-ident-origin>Zweckverband Landeswasserversorgung Langenau</stoff-ident-origin>
  <stoff-ident-id>SI00003683</stoff-ident-id>
  <susdat-id>NS00009827</susdat-id>
  <iupac>1-(1,3-benzodioxol-5-yl)butan-2-amine</iupac>
  <moldb-polar-surface-area>44.480000000000004</moldb-polar-surface-area>
  <moldb-refractivity>53.996100000000006</moldb-refractivity>
  <moldb-polarizability>21.53010515485723</moldb-polarizability>
  <moldb-rotatable-bond-count>3</moldb-rotatable-bond-count>
  <moldb-acceptor-count>3</moldb-acceptor-count>
  <moldb-donor-count>1</moldb-donor-count>
  <moldb-pka-strongest-acidic nil="true"/>
  <moldb-pka-strongest-basic>10.040347286330302</moldb-pka-strongest-basic>
  <moldb-physiological-charge>1</moldb-physiological-charge>
  <moldb-number-of-rings>2</moldb-number-of-rings>
  <moldb-alogps-logp>1.92</moldb-alogps-logp>
  <moldb-alogps-logs>-2.08</moldb-alogps-logs>
  <moldb-alogps-solubility>1.62e+00 g/l</moldb-alogps-solubility>
  <kingdom>Organic compounds</kingdom>
  <superklass>Organoheterocyclic compounds</superklass>
  <klass>Benzodioxoles</klass>
  <subklass nil="true"/>
  <paper-count type="integer">0</paper-count>
  <sync-id>CED0113655</sync-id>
  <structure-inchikey>VHMRXGAIDDCGDU-UHFFFAOYSA-N</structure-inchikey>
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  <structure-indexed-at type="dateTime">2026-09-19T04:12:22Z</structure-indexed-at>
</compound>
