<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">360554</id>
  <title nil="true"/>
  <common-name>N,n-bis(2-chloroethyl)-2-oxo-1,3,2lambda5-dioxaphospholan-2-amine</common-name>
  <description nil="true"/>
  <cas nil="true"/>
  <pubchem-id>54108</pubchem-id>
  <chemical-formula>C6H12Cl2NO3P</chemical-formula>
  <weight>248.04</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">2026-09-01T09:02:31Z</created-at>
  <updated-at type="dateTime">2026-09-01T09:02:31Z</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>C1COP(=O)(O1)N(CCCl)CCCl</moldb-smiles>
  <moldb-formula>C6H12Cl2NO3P</moldb-formula>
  <moldb-inchi>InChI=1S/C6H12Cl2NO3P/c7-1-3-9(4-2-8)13(10)11-5-6-12-13/h1-6H2</moldb-inchi>
  <moldb-inchikey>UCCUHZZSLYVRAX-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">246.9931856</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>0.7</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>CHEM356447</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,n-bis(2-chloroethyl)-2-oxo-1,3,2lambda5-dioxaphospholan-2-amine</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 nitrogen compounds</superklass>
  <klass>Organonitrogen compounds</klass>
  <subklass>Nitrogen mustard compounds</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0310724</sync-id>
  <structure-inchikey>UCCUHZZSLYVRAX-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>4000000000000000000800000000000000000000000000000000000000000000000000000000000000000000000000000800000000008000000000080000000000000000000000000000000000000000020800000000000000000000000000000000000002000000000000000004000000000020000020000000000000000000800000000000000000004000000008000000000000000000000000000000000000000000000000000000000000000000000000000008000000000000000400000000000000000000000000000080000000010000000000000000000000000000000000000000000000000000000800000000001000000002000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>81200102020080000000010820000000048000050000002000400200000c4000005000800000000001080080000006200008028c12050000443000a0400084110400005007001090103000620800400000805001003240000420040001200c200002004002002000000050300000200480100101e0041118002000100802004001080c40000208000200080800081004001a4400140201000b09000005848a4300000000e00000000840012c221002c0000081010a0018000200084002000c000404040000021080000024010280004000000008502004801004080002000000001000000000000000000091200000100010804000080000000050000002</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ����������������������€���`�������`������� ������ ������(������� ������ ������`�������`������� ������`�������`������� �������������������������������	��
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��������B��������������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:58:01Z</structure-indexed-at>
</compound>
