303455 <common-name>[3-acetyloxy-4-[2-(tert-butylamino)-1-hydroxyethyl]phenyl] acetate</common-name> <description>[3-acetyloxy-4-[2-(tert-butylamino)-1-hydroxyethyl]phenyl] acetate belongs to the phenol esters, a class of benzenoids within the organic compounds. This compound has the formula C16H23NO5 and an average molecular weight of 309.36 g/mol.</description> <cas nil="true"/> <pubchem-id>3040382</pubchem-id> <chemical-formula>C16H23NO5</chemical-formula> <weight>309.36</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">2026-08-28T20:44:26Z</created-at> <updated-at type="dateTime">2026-08-28T20:44:26Z</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)OC1=CC(=C(C=C1)C(CNC(C)(C)C)O)OC(=O)C</moldb-smiles> <moldb-formula>C16H23NO5</moldb-formula> <moldb-inchi>InChI=1S/C16H23NO5/c1-10(18)21-12-6-7-13(15(8-12)22-11(2)19)14(20)9-17-16(3,4)5/h6-8,14,17,20H,9H2,1-5H3</moldb-inchi> <moldb-inchikey>RHYZKBNVXXKWPT-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">309.1576228</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>1.1</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>CHEM299348</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>[3-acetyloxy-4-[2-(tert-butylamino)-1-hydroxyethyl]phenyl] acetate</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>Phenol esters</klass> <subklass nil="true"/> <paper-count type="integer" nil="true"/> <sync-id>CED0254646</sync-id> <structure-inchikey>RHYZKBNVXXKWPT-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000000000000000804000002000000000000000000000000000100400000004000000000000200000000000000000800000000000000000000000000000000000000010000000000012000000100020000000000100000200000000000000000000050000000010000000100000000000000000000000000000000000400010000240000000000000000000000080000000000000000004000000000000000000000000000004002000080000000000000000000008000000000000000000000000002000000000800000000000000000000000000040000200000100000000000000000000000040000000000400000000000020000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€���`�������(�������(�������(������@(������@h�������@(������@(������@h�������@h��������`�������`�������`������� ������`�������`�������`�������`�������(�������(�������(�������`�����������(��� �� ��h���h���h���h�� h�� � ������ � �� �� �� ���� �� ��(���� �h�B������ ��������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:12:49Z</structure-indexed-at> </compound>