<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">98905</id>
  <title nil="true"/>
  <common-name>1,1'-(Methylimino)bis[3-chloropropan-2-ol]</common-name>
  <description>1,1'-(Methylimino)bis[3-chloropropan-2-ol] belongs to the chlorohydrins, a subclass of halohydrins within the organic compounds. This organohalogen compound has the chemical formula C7H15Cl2NO2 and an average molecular weight of 216.10 g/mol.</description>
  <cas>68140-75-0</cas>
  <pubchem-id>109176</pubchem-id>
  <chemical-formula>C7H15Cl2NO2</chemical-formula>
  <weight>216.1</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">2026-04-05T06:28:35Z</created-at>
  <updated-at type="dateTime">2026-09-01T10:57:14Z</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(CC(O)CCl)CC(O)CCl</moldb-smiles>
  <moldb-formula>C7H15Cl2NO2</moldb-formula>
  <moldb-inchi>InChI=1/C7H15Cl2NO2/c1-10(4-6(11)2-8)5-7(12)3-9/h6-7,11-12H,2-5H2,1H3</moldb-inchi>
  <moldb-inchikey>QRSIATZYIUKISS-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">216.1</moldb-average-mass>
  <moldb-mono-mass type="decimal">215.0479841</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>0.2</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>CHEM094798</chemdb-id>
  <dsstox-id>DTXSID00887212</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00061561</susdat-id>
  <iupac>1-chloro-3-[(3-chloro-2-hydroxypropyl)-methylamino]propan-2-ol</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>Organohalogen compounds</superklass>
  <klass>Halohydrins</klass>
  <subklass>Chlorohydrins</subklass>
  <paper-count type="integer">1</paper-count>
  <sync-id>CED0061599</sync-id>
  <structure-inchikey>QRSIATZYIUKISS-UHFFFAOYSA-N</structure-inchikey>
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  <structure-pattern-fingerprint>10202000000000000002000000000080404000000200040000000044000004000800000000001000080000004200001008c00010000443000a0000084110000000000001080100000620000000000004000002200000420000001000c200000004002000000000050300000200080100100200411180000001000024040000804400000080002000808000010040002440010000000080000800000804300000000c000000008000024221002c0000000010800000000000000020000100004040000000080000000000000000000000008400000000000080000000400080000000000000000000000200400000010004000000000010050000002</structure-pattern-fingerprint>
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</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T04:38:26Z</structure-indexed-at>
</compound>
