101468 <common-name>N-benzylphenethylammonium diacetate</common-name> <description>N-benzylphenethylammonium diacetate belongs to the diphenylmethanes, a subclass of benzene and substituted derivatives within the organic compounds. It has the chemical formula C15H17N and an average molecular weight of 331.41 g/mol. This compound is further classified as a member of the benzenoids superclass.</description> <cas nil="true"/> <pubchem-id>21439915</pubchem-id> <chemical-formula>C15H17N</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">2026-04-05T08:38:41Z</created-at> <updated-at type="dateTime">2026-04-05T08:38:41Z</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(O)=O.CC(O)=O.C(CC1=CC=CC=C1)NCC1=CC=CC=C1</moldb-smiles> <moldb-formula>C15H17N</moldb-formula> <moldb-inchi>InChI=1/2C15H17N.2C2H4O2/c2*16-11-10-14-8-4-5-9-15(14)12-13-6-2-1-3-7-13;2*1-2(3)4/h2*1-9H,10-12,16H2;2*1H3,(H,3,4)</moldb-inchi> <moldb-inchikey>BRQKFJGTYNBBAF-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">331.412</moldb-average-mass> <moldb-mono-mass type="decimal">211.1360995</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>CHEM097361</chemdb-id> <dsstox-id>DTXSID90916500</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00064727</susdat-id> <iupac nil="true"/> <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>Diphenylmethanes</subklass> <paper-count type="integer">0</paper-count> <sync-id>CED0115035</sync-id> <structure-inchikey>IEFAHYPBFPGNEH-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>800010000000000000000000000000000000000000010000000000000000000000000000000004000000000000000000000000000008000000000000000000000000000000020020001000000000000000000000000000000000010000000000000000000000000000000000000000000000000800400000040040200000800000000000000080004000000100000000001000000000000000000000000000000000080000000000000000000000000000001000000000000000000000000000000000000000000000000000000000000220000000000000000000000000000040000000000400000000000000000200000000000000</structure-fingerprint> <structure-pattern-fingerprint>401000000112064000000900010020000000000000052000003100400200000440020040008000000000410000800000042000a4408c30010020643000a00000c6110c00020000000080102000620100000401004001013240000422000049000c200404004002000000040054340000200080500104600411180000025100021044000804e0800808020200882c0008111c0012444014820004080000400000004300000010c00000000840017425100ac00000084108401000000000c00210000000840400000201800000000002800000000002004000090000000800000000000800000100000000000040022000001000108442000e0000000052000002</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���h���h�� h���h�B������� �� �����������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:39:51Z</structure-indexed-at> </compound>