<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">80234</id>
  <title nil="true"/>
  <common-name>Morpholine, 4-(2,5-dibutoxy-4-nitrophenyl)-</common-name>
  <description>Morpholine, 4-(2,5-dibutoxy-4-nitrophenyl)- belongs to the morpholines, a subclass of oxazinanes within the organic compounds. This organoheterocyclic compound has the chemical formula C18H28N2O5 and an average molecular weight of 352.43 g/mol.</description>
  <cas>86-15-7</cas>
  <pubchem-id>66570</pubchem-id>
  <chemical-formula>C18H28N2O5</chemical-formula>
  <weight>352.4</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">2026-04-04T15:32:12Z</created-at>
  <updated-at type="dateTime">2026-08-20T01:19:48Z</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>CCCCOC1=CC(=C(OCCCC)C=C1N1CCOCC1)[N+]([O-])=O</moldb-smiles>
  <moldb-formula>C18H28N2O5</moldb-formula>
  <moldb-inchi>InChI=1S/C18H28N2O5/c1-3-5-9-24-17-14-16(20(21)22)18(25-10-6-4-2)13-15(17)19-7-11-23-12-8-19/h13-14H,3-12H2,1-2H3</moldb-inchi>
  <moldb-inchikey>MKVBADWWJFSRRK-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">352.431</moldb-average-mass>
  <moldb-mono-mass type="decimal">352.199822</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>3.9</logp>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id>59940</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>CHEM076127</chemdb-id>
  <dsstox-id>DTXSID0058934</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00039113</susdat-id>
  <iupac>4-(2,5-dibutoxy-4-nitrophenyl)morpholine</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>Oxazinanes</klass>
  <subklass>Morpholines</subklass>
  <paper-count type="integer">0</paper-count>
  <sync-id>CED0121479</sync-id>
  <structure-inchikey>MKVBADWWJFSRRK-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>40000000000000000800000000000000000000000000000000000010040000000000002000000000000002000000000000100000000000004000000000000001000000000000000010000000000000020800000000100001a00000000400000000020000000000200000000108000000000020100020000000000002002000000000040000000000000000000000000000000001000000000000000000000000100000000000000000000080000040000000040080000008000000002000000000000000000000000000000000000000000000000000002000000000000000000000000000000000040000000010000000000001020000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���`�������`�������`�������`�������(������@(������@h�������@(������@(�������(�������`�������`�������`�������`������@h�������@(�������(�������`�������`������� ������`�������`������ *������� *���ÿ����(�������������������� ��h���h���h��	 	
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  <structure-indexed-at type="dateTime">2026-09-19T04:27:11Z</structure-indexed-at>
</compound>
