5389 <common-name>1,4-Phenylenediamine dihydrochloride</common-name> <description>1,4-Phenylenediamine dihydrochloride has the chemical formula C6H10Cl2N2 and an average molecular weight of 181.06 g/mol. 1,4-Phenylenediamine dihydrochloride belongs to the aniline and substituted anilines, a subclass of benzene and substituted derivatives within the organic compounds. This compound is further classified as part of the benzenoids superclass. In industrial applications, it is used as a dye.</description> <cas>624-18-0</cas> <pubchem-id nil="true"/> <chemical-formula>C6H10Cl2N2</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">2016-05-19T01:39:58Z</created-at> <updated-at type="dateTime">2026-04-05T17:58:48Z</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>Cl.Cl.NC1=CC=C(N)C=C1</moldb-smiles> <moldb-formula>C6H10Cl2N2</moldb-formula> <moldb-inchi>InChI=1S/C6H8N2.2ClH/c7-5-1-2-6(8)4-3-5;;/h1-4H,7-8H2;2*1H</moldb-inchi> <moldb-inchikey>IYXMNTLBLQNMLM-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">181.06</moldb-average-mass> <moldb-mono-mass type="decimal">180.0221037</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>CHEM004284</chemdb-id> <dsstox-id nil="true"/> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00080357</susdat-id> <iupac nil="true"/> <moldb-polar-surface-area>52.04</moldb-polar-surface-area> <moldb-refractivity>35.458800000000004</moldb-refractivity> <moldb-polarizability>11.72119185100818</moldb-polarizability> <moldb-rotatable-bond-count>0</moldb-rotatable-bond-count> <moldb-acceptor-count>2</moldb-acceptor-count> <moldb-donor-count>2</moldb-donor-count> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic>6.456214752042171</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>1</moldb-number-of-rings> <moldb-alogps-logp>-0.01</moldb-alogps-logp> <moldb-alogps-logs>-0.15</moldb-alogps-logs> <moldb-alogps-solubility>7.58e+01 g/l</moldb-alogps-solubility> <kingdom>Organic compounds</kingdom> <superklass>Benzenoids</superklass> <klass>Benzene and substituted derivatives</klass> <subklass>Aniline and substituted anilines</subklass> <paper-count type="integer">400</paper-count> <sync-id>CED0012043</sync-id> <structure-inchikey>IYXMNTLBLQNMLM-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>80000000000000000000000000000000000000000000000000000000000000000000009000000000000000000000000000000000000000000000000000080000000000000000004000000000000000000020000000000000000000000000000000000000000000000000000200000000000008000000000000000040000000000000000000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>80000000000000000002000000000000004000000200040020000044000000000800000000001000000000004200020000c20010000443000a0000080110000020000000000000000420000000001004000000200000020000200000c0004040000000000000000400000002000801001000004511800000011000200400000044000000800000008000000100c00024400000000000800000000008003000000004000000008000034001002c0000000400840000000000000001000000000044000000180000000000000000000000000400000000000080000000000000000000000000000000000000000000000004000020008000050000400</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ���������������� �������€���@������@������h�������@(������@h�������@h�������@(�������h�������@h�������@h��������� ��h���h���h��� ��h�� h� �h�B������ ��������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:01:53Z</structure-indexed-at> </compound>