61383 <common-name>Aspartic acid, N,N'-(methylenebis(2-methyl-4,1-cyclohexanediyl))bis-, 1,1',4,4'-tetraethyl ester</common-name> <description>Aspartic acid, N,N'-(methylenebis(2-methyl-4,1-cyclohexanediyl))bis-, 1,1',4,4'-tetraethyl ester belongs to the amino acids, peptides, and analogues, a subclass of carboxylic acids and derivatives within the organic compounds. With an average molecular weight of 582.78 g/mol, Aspartic acid, N,N'-(methylenebis(2-methyl-4,1-cyclohexanediyl))bis-, 1,1',4,4'-tetraethyl ester is a heavy molecule. It has the chemical formula C31H54N2O8. This compound is found in or released from drinking water and water supply. The recorded route of exposure for this substance is oral.</description> <cas>136210-32-7;188364-76-3</cas> <pubchem-id>86237</pubchem-id> <chemical-formula>C31H54N2O8</chemical-formula> <weight>582.8</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">2026-03-31T18:35:38Z</created-at> <updated-at type="dateTime">2026-08-22T10:44:27Z</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>CCOC(=O)CC(NC1CCC(CC2CCC(NC(CC(=O)OCC)C(=O)OCC)C(C)C2)CC1C)C(=O)OCC</moldb-smiles> <moldb-formula>C31H54N2O8</moldb-formula> <moldb-inchi>InChI=1S/C31H54N2O8/c1-7-38-28(34)18-26(30(36)40-9-3)32-24-13-11-22(15-20(24)5)17-23-12-14-25(21(6)16-23)33-27(31(37)41-10-4)19-29(35)39-8-2/h20-27,32-33H,7-19H2,1-6H3</moldb-inchi> <moldb-inchikey>YHVVJCQIMRGPPE-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">582.779</moldb-average-mass> <moldb-mono-mass type="decimal">582.388017</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>6</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>77784</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>CHEM057276</chemdb-id> <dsstox-id>DTXSID00869856</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00010123</susdat-id> <iupac>diethyl 2-[[4-[[4-[(1,4-diethoxy-1,4-dioxobutan-2-yl)amino]-3-methylcyclohexyl]methyl]-2-methylcyclohexyl]amino]butanedioate</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">0</paper-count> <sync-id>CED0165919</sync-id> <structure-inchikey>YHVVJCQIMRGPPE-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000004000000000000800000000000010010100000000000000200000000000000000002000000000000000002000000000000000000000000000000000000000000000000000000000000000004000020000000000100000000008000000000000000010000000000000000000000000000020000000000000000000000100000000040040000000000004000000080000000000000000000020000000000002800040004004000000000002000100000000000000000000000000000010000000000000000000000000000000000010000000000012000000000080000000000002000000000100000000000000400000004000000000000004000004000</structure-fingerprint> 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