284763 <common-name>Carboxymethyl-[3-[carboxymethyl(1,1,2,2,3,3,3-heptafluoropropylsulfonyl)amino]propyl]-dimethylazanium</common-name> <description>Carboxymethyl-[3-[carboxymethyl(1,1,2,2,3,3,3-heptafluoropropylsulfonyl)amino]propyl]-dimethylazanium belongs to the amino acids, peptides, and analogues, a subclass of carboxylic acids and derivatives within the organic compounds. This organic acid and derivative has the formula C12H18F7N2O6S+ and an average molecular weight of 451.34 g/mol.</description> <cas>2089109-87-3</cas> <pubchem-id>139596088</pubchem-id> <chemical-formula>C12H18F7N2O6S+</chemical-formula> <weight>451.34</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">2026-08-27T20:24:04Z</created-at> <updated-at type="dateTime">2026-08-27T20:24:04Z</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>C[N+](C)(CCCN(CC(=O)O)S(=O)(=O)C(C(C(F)(F)F)(F)F)(F)F)CC(=O)O</moldb-smiles> <moldb-formula>C12H18F7N2O6S+</moldb-formula> <moldb-inchi>InChI=1S/C12H17F7N2O6S/c1-21(2,7-9(24)25)5-3-4-20(6-8(22)23)28(26,27)12(18,19)10(13,14)11(15,16)17/h3-7H2,1-2H3,(H-,22,23,24,25)/p+1</moldb-inchi> <moldb-inchikey>MONIJQFNNNDUEZ-UHFFFAOYSA-O</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">451.0773796</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>1.7</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>CHEM280656</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>Carboxymethyl-[3-[carboxymethyl(1,1,2,2,3,3,3-heptafluoropropylsulfonyl)amino]propyl]-dimethylazanium</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>Organic acids and derivatives</superklass> <klass>Carboxylic acids and derivatives</klass> <subklass>Amino acids, peptides, and analogues</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0236613</sync-id> <structure-inchikey>MONIJQFNNNDUEZ-UHFFFAOYSA-O</structure-inchikey> <structure-fingerprint>20000100000800000002000800000000000000000000000000000000000000000000000000000020000000004000002000000000000000000000000000000100000000000000004000008000020000000000000000000000000000000000000010000010000000000004200000040000000000000000000000000000000000040080000400000000000000000000000020000000000000000000000000000000000800000000000000002a00010000000040000080000000000000000000000000020000000000008000000000000000000000000400000001000000000000000000100000000000000010400800001000000000000000001000000</structure-fingerprint> 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