67951 <common-name>2,3,4,5-Tetramethyl-1H-pyrrole</common-name> <description nil="true"/> <cas>1003-90-3</cas> <pubchem-id>70484</pubchem-id> <chemical-formula>C8H13N1</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">2026-04-03T10:57:04Z</created-at> <updated-at type="dateTime">2026-04-03T10:57:04Z</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>CC1=C(C)C(C)=C(C)N1</moldb-smiles> <moldb-formula>C8H13N1</moldb-formula> <moldb-inchi>InChI=1S/C8H13N/c1-5-6(2)8(4)9-7(5)3/h9H,1-4H3</moldb-inchi> <moldb-inchikey>BDXJANJAHYKTMI-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">123.199</moldb-average-mass> <moldb-mono-mass type="decimal">123.104799</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>63661</chemspider-id> <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>CHEM063844</chemdb-id> <dsstox-id>DTXSID40143122</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00022977</susdat-id> <iupac>2,3,4,5-tetramethyl-1H-pyrrole</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>Organoheterocyclic compounds</superklass> <klass>Pyrroles</klass> <subklass>Substituted pyrroles</subklass> <paper-count type="integer">2</paper-count> <sync-id>CED0052779</sync-id> <structure-inchikey>BDXJANJAHYKTMI-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>80000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000800000000020000000000000000000000000000000000000000000000000000000000000000000000000000000040000000000000200000000000000000000000000000000000000000000000000000000000000000080000000000000000200000000000000000000000000000000000000000000000000000002000000000002000004000000000000000000000000000000000000000000000000000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ���������������� ��� ���€���`������@(������@(�������`������@(�������`������@(�������`������@8������������h������h������h������h���h�B��������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:17:59Z</structure-indexed-at> </compound>