81274 <common-name>Benzene, 1-methyl-4-(1-methylethyl)-2-nitro-</common-name> <description>Benzene, 1-methyl-4-(1-methylethyl)-2-nitro- belongs to the monoterpenoids, a subclass of prenol lipids within the organic compounds. This compound has the formula C10H13N1O2 and an average molecular weight of 179.22 g/mol. It is further classified under the superclass of lipids and lipid-like molecules.</description> <cas>943-15-7</cas> <pubchem-id>70340</pubchem-id> <chemical-formula>C10H13N1O2</chemical-formula> <weight>179.22</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">2026-04-04T17:38:53Z</created-at> <updated-at type="dateTime">2026-08-18T00:32:09Z</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(C)C1=CC(=C(C)C=C1)[N+]([O-])=O</moldb-smiles> <moldb-formula>C10H13N1O2</moldb-formula> <moldb-inchi>InChI=1S/C10H13NO2/c1-7(2)9-5-4-8(3)10(6-9)11(12)13/h4-7H,1-3H3</moldb-inchi> <moldb-inchikey>DRKFWQDBPGTSOO-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">179.219</moldb-average-mass> <moldb-mono-mass type="decimal">179.094629</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3.2</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>63521</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>CHEM077167</chemdb-id> <dsstox-id>DTXSID9061336</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00040385</susdat-id> <iupac>1-methyl-2-nitro-4-propan-2-ylbenzene</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>Lipids and lipid-like molecules</superklass> <klass>Prenol lipids</klass> <subklass>Monoterpenoids</subklass> <paper-count type="integer">0</paper-count> <sync-id>CED0128986</sync-id> <structure-inchikey>DRKFWQDBPGTSOO-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000000000000000000000000000000000020000000000000000000000000000001000000000000000102000000000000000000000000000000000000000000000000000000000000200000000000020000000000000001800000000400000000000000000000200000000100000000000000000000000000000000000000000000040000000000000000000000000000000001000000000000000000000000000000000100000000400080100000000000000000000000000000000000000000000000000000000000000000000000000100000002000000200000000000008000000000004000040000000000000200000001000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ���������������� ��� ���€���`�������`�������`������@(������@h�������@(������@(�������`������@h�������@h������� *������� *���ÿ����(�����������������h���h���h������h�� h�� � �(� �h�B������ ��������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:27:58Z</structure-indexed-at> </compound>