90494 <common-name>(S)-2-amino-N-(4-nitrophenyl)propionamide hydrochloride</common-name> <description nil="true"/> <cas nil="true"/> <pubchem-id nil="true"/> <chemical-formula>C9H12N3O3</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">2026-04-05T00:19:33Z</created-at> <updated-at type="dateTime">2026-04-05T00:19:33Z</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>Cl.C[C@H](N)C(=O)NC1=CC=C(C=C1)[N+]([O-])=O</moldb-smiles> <moldb-formula>C9H12N3O3</moldb-formula> <moldb-inchi>InChI=1/C9H11N3O3.ClH/c1-6(10)9(13)11-7-2-4-8(5-3-7)12(14)15;/h2-6H,10H2,1H3,(H,11,13);1H</moldb-inchi> <moldb-inchikey>YEXRLSXNWLNHQR-RGMNGODLSA-N</moldb-inchikey> <moldb-average-mass type="decimal">245.66</moldb-average-mass> <moldb-mono-mass type="decimal">210.0878662</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>CHEM086387</chemdb-id> <dsstox-id>DTXSID60185660</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00051593</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>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>CED0130960</sync-id> <structure-inchikey>YEXRLSXNWLNHQR-RGMNGODLSA-N</structure-inchikey> <structure-fingerprint>40000000000000000008000000000000080000000000000100000000000000000000001000000000000000000000000000000000000000000000000000000000000000000000000400000000000000000020000000000000001000000000400040002000010000000210000000000000000000000000000000000000000000000000000040000400000000000000000080001000001000000000000000000020000000000000000000000000080000000000000000000000000000000000000020000000000000000000000000000000800000000000000000000200000000000000428000000000000040000000000400000000101000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€���@������`������ 4��������`�������(�������(�������h�������@(������@h�������@h�������@(������@h�������@h������� *������� *���ÿ����(�����������������(��� �� ��h�� h� h� �h���h� � �(���h�B�������� �����������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:33:17Z</structure-indexed-at> </compound>