99690 <common-name>4-[[4-(Dimethylamino)phenyl]iminomethyl]-N,N,N-trimethylanilinium methyl sulphate</common-name> <description>4-[[4-(Dimethylamino)phenyl]iminomethyl]-N,N,N-trimethylanilinium methyl sulphate belongs to the amines, a subclass of organonitrogen compounds within the organic compounds. It has the chemical formula C18H24N3 and an average molecular weight of 393.50 g/mol.</description> <cas>94107-96-7</cas> <pubchem-id>5744247</pubchem-id> <chemical-formula>C18H24N3</chemical-formula> <weight nil="true"/> <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">2026-04-05T07:05:09Z</created-at> <updated-at type="dateTime">2026-04-05T07:05:09Z</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>COS([O-])(=O)=O.CN(C)C1=CC=C(C=C1)N=CC1=CC=C(C=C1)[N+](C)(C)C</moldb-smiles> <moldb-formula>C18H24N3</moldb-formula> <moldb-inchi>InChI=1/C18H24N3.CH4O4S/c1-20(2)17-10-8-16(9-11-17)19-14-15-6-12-18(13-7-15)21(3,4)5;1-5-6(2,3)4/h6-14H,1-5H3;1H3,(H,2,3,4)/q+1;/p-1</moldb-inchi> <moldb-inchikey>KOTQVWGDAGINHD-UHFFFAOYSA-M</moldb-inchikey> <moldb-average-mass type="decimal">393.5</moldb-average-mass> <moldb-mono-mass type="decimal">282.1970228</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <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>CHEM095583</chemdb-id> <dsstox-id>DTXSID10240556</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00062575</susdat-id> <iupac nil="true"/> <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>Amines</subklass> <paper-count type="integer">0</paper-count> <sync-id>CED0121662</sync-id> <structure-inchikey>KOTQVWGDAGINHD-UHFFFAOYSA-M</structure-inchikey> <structure-fingerprint>4000000000000000000000000000000000000000000020010000000000000200000000000000000002000000000020000200000000000000000000000000000000000000000000001000000800003000000000030000100400400000000000000000000000004000008000c000000000000000000880000000001000108000000040000000008000000000000000100000000000000000000000000000000000040000000000000000180000000800000000000000080000000000000000000000000000000000000000000000200000000800000000000200010000000000000000000002000040000000000000000000000000000000000000004000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€���`������� ������ ����� "���ÿ���(�������(�������`�������(�������`������@(������@h�������@h�������@(������@h�������@h��������(�������h�������@(������@h�������@h�������@(������@h�������@h������� "�������`�������`�������`������������������������������ h� �h���h�� h� �h��� ��(��� ��h���h���h���h���h�������������� h���h�B����� � �� �����������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:38:52Z</structure-indexed-at> </compound>