365844 <common-name>N',n'-bis(2-chloroethyl)-n,n-dimethylpropane-1,3-diamine</common-name> <description nil="true"/> <cas nil="true"/> <pubchem-id>437555</pubchem-id> <chemical-formula>C9H20Cl2N2</chemical-formula> <weight>227.17</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">2026-09-01T16:40:06Z</created-at> <updated-at type="dateTime">2026-09-01T16:40:06Z</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)CCCN(CCCl)CCCl</moldb-smiles> <moldb-formula>C9H20Cl2N2</moldb-formula> <moldb-inchi>InChI=1S/C9H20Cl2N2/c1-12(2)6-3-7-13(8-4-10)9-5-11/h3-9H2,1-2H3</moldb-inchi> <moldb-inchikey>XIKZTUZOLZDGKT-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">226.100354</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>CHEM361737</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)-n,n-dimethylpropane-1,3-diamine</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>CED0315789</sync-id> <structure-inchikey>XIKZTUZOLZDGKT-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>800000000000000000000000000000000000000000100000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000008000000000400000000000000000000000000000000000000000000004000000000000000200000001000000000000800000040000000000004000000000000100800000000000000000000000000000000000000000000000000000000000000000000008000000000000000000000000000000400000000000000000000000010000000000000000004000000000000000000000000000000000000010000000001000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>200000000000000002000000000000005000000200040000000044000004000800000000001000000000004200001000c10010000443000a0000084110000000000001080100000420000000000004000000200000420000000000c200000000002000000000050000000200080100100000411180000001000020040000004400000080000000808000010040002440000000000080000000000800300000000c000000008000024221002c0000000010800000000000000020000100004040000000080000000000200000000000008400000000000080000000000080000000000000000000000200000000010004000000000000050000002</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ���������������� �������€���`������� ������`�������`�������`�������`������� ������`�������`������� ������`�������`������� ������������������������������ �� � �����B��������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T06:01:50Z</structure-indexed-at> </compound>