<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">363140</id>
  <title nil="true"/>
  <common-name>[4-(dimethylamino)anilino]sulfamic acid</common-name>
  <description>[4-(dimethylamino)anilino]sulfamic acid is a chemical compound with the formula C8H13N3O3S. It has an average molecular weight of 231.27 g/mol.</description>
  <cas nil="true"/>
  <pubchem-id>33688</pubchem-id>
  <chemical-formula>C8H13N3O3S</chemical-formula>
  <weight>231.27</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">2026-09-01T12:38:11Z</created-at>
  <updated-at type="dateTime">2026-09-01T12:38:11Z</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)C1=CC=C(C=C1)NNS(=O)(=O)O</moldb-smiles>
  <moldb-formula>C8H13N3O3S</moldb-formula>
  <moldb-inchi>InChI=1S/C8H13N3O3S/c1-11(2)8-5-3-7(4-6-8)9-10-15(12,13)14/h3-6,9-10H,1-2H3,(H,12,13,14)</moldb-inchi>
  <moldb-inchikey>LYISIZHXEODKOF-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">231.0677625</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>0.8</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>CHEM359033</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>[4-(dimethylamino)anilino]sulfamic acid</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>Benzenoids</superklass>
  <klass>Benzene and substituted derivatives</klass>
  <subklass>Phenylhydrazines</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0313182</sync-id>
  <structure-inchikey>LYISIZHXEODKOF-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>200000000000000000000000000000000000000100000000000000000000000000020000000000020000000000000000000000000000000000000000000000000000000000008000000000010020000000000000000000004000000000000000010000000010000000004000000000000000000080000000000000000000000040080000008000000000000080100000008000000000000000000000000000000000000000000000180000000000000000000400080000000000000000000000000000000000000000000000000000000800000000000200000000000000000000000000000040000000000000800000000000000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>50000010092202008000040001086a0300000c0000052001202000408200000c4402005000900000000001000080000004200020028c30010000443001a0401084110400020004800090100000e20000000005804000003240000422000200000c0004060048020000000000c410004020428010010180045118000002310002024000080c6000080800020008180008111c0012440014020300080000000080404300000000400000000840013c211002c00000884108401000001000400210001000c40440000a018000000001028000000000020060000d000800080000000000001000000000000004010010200000100010004000020008000050000400</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���`�������(�������`������@(������@h�������@h�������@(������@h�������@h��������h��������`������� ������(�������(�������`�������������� ��h���h���h���h���h��	 	
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��������������h�B���������������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:59:56Z</structure-indexed-at>
</compound>
