<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">303933</id>
  <title nil="true"/>
  <common-name>N-(3,4-dihydro-2h-chromen-3-ylmethyl)-n',n'-diethylethane-1,2-diamine</common-name>
  <description>N-(3,4-dihydro-2h-chromen-3-ylmethyl)-n',n'-diethylethane-1,2-diamine belongs to the 1-benzopyrans, a subclass of benzopyrans within the organic compounds. This organoheterocyclic compound has the formula C16H26N2O and an average molecular weight of 262.39 g/mol.</description>
  <cas>83823-45-4</cas>
  <pubchem-id>3068803</pubchem-id>
  <chemical-formula>C16H26N2O</chemical-formula>
  <weight>262.39</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">2026-08-28T21:23:40Z</created-at>
  <updated-at type="dateTime">2026-08-28T21:23:40Z</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>CCN(CC)CCNCC1CC2=CC=CC=C2OC1</moldb-smiles>
  <moldb-formula>C16H26N2O</moldb-formula>
  <moldb-inchi>InChI=1S/C16H26N2O/c1-3-18(4-2)10-9-17-12-14-11-15-7-5-6-8-16(15)19-13-14/h5-8,14,17H,3-4,9-13H2,1-2H3</moldb-inchi>
  <moldb-inchikey>AZZCOUFDQDIOHF-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">262.2045135</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>2.5</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>CHEM299826</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>N-(3,4-dihydro-2h-chromen-3-ylmethyl)-n',n'-diethylethane-1,2-diamine</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>Organoheterocyclic compounds</superklass>
  <klass>Benzopyrans</klass>
  <subklass>1-benzopyrans</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0255098</sync-id>
  <structure-inchikey>AZZCOUFDQDIOHF-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>4000000002020800000000010000000000000000000000000010000100000000002000000000000000000000000000000000000400000000000000000000000000200000000000000110800000000801000000000000000000000000000000000010000000000000000004000000000020800000000000000000800100000000040000000800000000000000080000000000100000000080000000000000000000000000000000000080000000000000000000000004000000000000000000000000000000820000000000000000000000008000000000200000010000000000000000000040040000000400010000001000000040000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���`�������`������� ������`�������`�������`�������`�������`�������`�������`�������`������@(������@h�������@h�������@h�������@h�������@(�������(�������`�������������������������������	�	
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  <structure-indexed-at type="dateTime">2026-09-19T05:13:08Z</structure-indexed-at>
</compound>
