<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">279400</id>
  <title nil="true"/>
  <common-name>N,n-bis(2-chloroethyl)-4,4,6-trimethyl-2-oxo-1,3,2lambda5-oxazaphosphinan-2-amine</common-name>
  <description>N,n-bis(2-chloroethyl)-4,4,6-trimethyl-2-oxo-1,3,2lambda5-oxazaphosphinan-2-amine belongs to the nitrogen mustard compounds, a subclass of organonitrogen compounds within the organic compounds. This organic nitrogen compound has the formula C10H21Cl2N2O2P and an average molecular weight of 303.16 g/mol.</description>
  <cas>70772-72-4</cas>
  <pubchem-id>3054051</pubchem-id>
  <chemical-formula>C10H21Cl2N2O2P</chemical-formula>
  <weight>303.16</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">2026-08-26T19:19:52Z</created-at>
  <updated-at type="dateTime">2026-08-26T19:19:52Z</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>CC1CC(NP(=O)(O1)N(CCCl)CCCl)(C)C</moldb-smiles>
  <moldb-formula>C10H21Cl2N2O2P</moldb-formula>
  <moldb-inchi>InChI=1S/C10H21Cl2N2O2P/c1-9-8-10(2,3)13-17(15,16-9)14(6-4-11)7-5-12/h9H,4-8H2,1-3H3,(H,13,15)</moldb-inchi>
  <moldb-inchikey>GATXBQKBTKEKSQ-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">302.0717703</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>1.8</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>CHEM275293</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)-4,4,6-trimethyl-2-oxo-1,3,2lambda5-oxazaphosphinan-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>CED0231457</sync-id>
  <structure-inchikey>GATXBQKBTKEKSQ-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>800000000000000000000010000000020000000000000000000000000000000000000000000000000000000008010000000000000000000000000000000000000000000000000020800001000000000000100000000000000000002000010000000000004000000000020000000010000000000000100800000048000000000004200000000000000000000000000000000004000020000000040000000000000001000000000000000000008000000000400000400000000200000000000000000080000000000010000000000000000000000000000000000000000000000000000000800000000001000000000000000000001000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���`�������`�������`������� ������`������� ������(������� ������ ������`�������`������� ������`�������`������� ������`�������`��������������������������������	�	
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  <structure-indexed-at type="dateTime">2026-09-19T04:54:43Z</structure-indexed-at>
</compound>
