<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">365311</id>
  <title nil="true"/>
  <common-name>2-[2-(2-iodoacetyl)oxyethyl-methylamino]ethyl 2-iodoacetate</common-name>
  <description>2-[2-(2-iodoacetyl)oxyethyl-methylamino]ethyl 2-iodoacetate is a chemical compound with the formula C9H15I2NO4. It has an average molecular weight of 455.03 g/mol.</description>
  <cas nil="true"/>
  <pubchem-id>23680</pubchem-id>
  <chemical-formula>C9H15I2NO4</chemical-formula>
  <weight>455.03</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">2026-09-01T15:50:09Z</created-at>
  <updated-at type="dateTime">2026-09-01T15:50:09Z</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(CCOC(=O)CI)CCOC(=O)CI</moldb-smiles>
  <moldb-formula>C9H15I2NO4</moldb-formula>
  <moldb-inchi>InChI=1S/C9H15I2NO4/c1-12(2-4-15-8(13)6-10)3-5-16-9(14)7-11/h2-7H2,1H3</moldb-inchi>
  <moldb-inchikey>AEMNEQPTGFXBCU-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">454.90905</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>1.4</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>CHEM361204</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>2-[2-(2-iodoacetyl)oxyethyl-methylamino]ethyl 2-iodoacetate</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>Dicarboxylic acids and derivatives</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0315267</sync-id>
  <structure-inchikey>AEMNEQPTGFXBCU-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>40000000000000000800000000000000010000000000000000000000000000000000000000000000000000000000000000000000000000000000001000000000000000000000000000000000000000020040004000100000000000000000000000000010000000000000000004000000000000000000000000000000000000028000040000000080000000000000000100000000000000000080000000000000000000000000000000000002000000000000000000000000001000000000000000000000000000000000000000000080000000000000000000000000400000000000000000000000000000000000400000001000000000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���`������� ������`�������`�������(�������(�������(�������`�����5� ������`�������`�������(�������(�������(�������`�����5� ������������������� ��(��������	�	
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���� �(�������B��������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T06:01:25Z</structure-indexed-at>
</compound>
