<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">118261</id>
  <title nil="true"/>
  <common-name>Phenol, 4,4'-(1-methylethylidene)bis[2,6-bis[(dimethylamino)methyl]-</common-name>
  <description nil="true"/>
  <cas nil="true"/>
  <pubchem-id>167520</pubchem-id>
  <chemical-formula>C27H44N4O2</chemical-formula>
  <weight>456.7</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">2026-04-06T01:14:07Z</created-at>
  <updated-at type="dateTime">2026-08-22T07:50:33Z</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>CN(C)CC1=CC(=CC(CN(C)C)=C1O)C(C)(C)C1=CC(CN(C)C)=C(O)C(CN(C)C)=C1</moldb-smiles>
  <moldb-formula>C27H44N4O2</moldb-formula>
  <moldb-inchi>InChI=1S/C27H44N4O2/c1-27(2,23-11-19(15-28(3)4)25(32)20(12-23)16-29(5)6)24-13-21(17-30(7)8)26(33)22(14-24)18-31(9)10/h11-14,32-33H,15-18H2,1-10H3</moldb-inchi>
  <moldb-inchikey>LLIYAFSMVQLZQF-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">456.675</moldb-average-mass>
  <moldb-mono-mass type="decimal">456.3464266</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>3.4</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>CHEM114154</chemdb-id>
  <dsstox-id>DTXSID5073408</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00093653</susdat-id>
  <iupac>4,4'-(Propane-2,2-diyl)bis{2,6-bis[(dimethylamino)methyl]phenol}</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"/>
</compound>
