100440 <common-name>Ammonium butyldinitrophenolate</common-name> <description nil="true"/> <cas nil="true"/> <pubchem-id>3018266</pubchem-id> <chemical-formula>C10H14N2O5</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">2026-04-05T07:49:08Z</created-at> <updated-at type="dateTime">2026-04-05T07:49:08Z</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>N.CCCCC1=C(C(=C(O)C=C1)N(=O)=O)N(=O)=O</moldb-smiles> <moldb-formula>C10H14N2O5</moldb-formula> <moldb-inchi>InChI=1/C10H12N2O5.H3N/c1-2-3-4-7-9(13)6-5-8(11(14)15)10(7)12(16)17;/h5-6,13H,2-4H2,1H3;1H3</moldb-inchi> <moldb-inchikey>IQLGTFOEQDEDTN-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">257.246</moldb-average-mass> <moldb-mono-mass type="decimal">242.0902715</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>CHEM096333</chemdb-id> <dsstox-id>DTXSID30992383</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00063487</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>Nitrobenzenes</subklass> <paper-count type="integer">465875</paper-count> <sync-id>CED0000482</sync-id> <structure-inchikey>MWNQUIQHHIGXNF-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>c00000000000000000000000000000000000000000000000000002000000000000000000000000000000000000000000000000000000000000000000000000010000000000000020000000000000001000000000400000000020010000000200000000000000000000002000000000010000004000000000000040000000000000000000000000000000001000000000001000000000000000000000000004000000080000000000000000000000100000000000010000000000000000002100000000000000000000000000000000040200004000000000000000000400000040000000010000000000001000000000000000000500</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€���@������`�������`�������`�������`������@(������@(������@(������@(�������h�������@h�������@h��������*��������*���ÿ����(�������*��������*���ÿ����(��������������������h���h���h�� � h� �h��� � ��(��� �� ��(���h�B������� �������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:39:17Z</structure-indexed-at> </compound>