348710 <common-name>Triethyl-[2-[4-[4-[2-oxo-2-(triethylazaniumyl)ethyl]phenyl]phenyl]acetyl]azanium</common-name> <description>Triethyl-[2-[4-[4-[2-oxo-2-(triethylazaniumyl)ethyl]phenyl]phenyl]acetyl]azanium is a compound with the formula C28H42N2O2+2. It has an average molecular weight of 438.60 g/mol.</description> <cas nil="true"/> <pubchem-id>46792</pubchem-id> <chemical-formula>C28H42N2O2+2</chemical-formula> <weight>438.6</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">2026-08-31T12:50:10Z</created-at> <updated-at type="dateTime">2026-08-31T12:50:10Z</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>CC[N+](CC)(CC)C(=O)CC1=CC=C(C=C1)C2=CC=C(C=C2)CC(=O)[N+](CC)(CC)CC</moldb-smiles> <moldb-formula>C28H42N2O2+2</moldb-formula> <moldb-inchi>InChI=1S/C28H42N2O2/c1-7-29(8-2,9-3)27(31)21-23-13-17-25(18-14-23)26-19-15-24(16-20-26)22-28(32)30(10-4,11-5)12-6/h13-20H,7-12,21-22H2,1-6H3/q+2</moldb-inchi> <moldb-inchikey>DCCAFRWLOMZXFN-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">438.3246286</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>5.2</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>CHEM344603</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>Triethyl-[2-[4-[4-[2-oxo-2-(triethylazaniumyl)ethyl]phenyl]phenyl]acetyl]azanium</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>Biphenyls and derivatives</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0299039</sync-id> <structure-inchikey>DCCAFRWLOMZXFN-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>800000000800000000200000000000000000000000000000000002000200040000000000000000000002000000000000000000000000000002000000000000000000000000000020000000000000000000008000000000000000010000000000000000000000800040000000000000000000000000000000000040000000000000000000000000800000000000000000000800000000000000000000000000000000080000000000000000000000000000000000000000400000000000000000000000000000000000000000000000000220000000000000000000000000000050000000000400000000000800000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ���������������� ���!���€���`�������`������ "�������`�������`�������`�������`�������(�������(�������`������@(������@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">2026-09-19T05:46:59Z</structure-indexed-at> </compound>