Acetamide, N-(4-butyl-2-nitrophenyl)- (CHEM069156)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-04-03 23:22:48 UTC | ||||||||
| Update Date | 2026-08-18 18:49:13 UTC | ||||||||
| Accession Number | CHEM069156 | ||||||||
| Identification | |||||||||
| Common Name | Acetamide, N-(4-butyl-2-nitrophenyl)- | ||||||||
| Class | Small Molecule | ||||||||
| Description | Acetamide, N-(4-butyl-2-nitrophenyl)- belongs to the anilides, a subclass of benzene and substituted derivatives within the organic compounds. This benzenoid compound has the formula C12H16N2O3 and an average molecular weight of 236.27 g/mol. | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C12H16N2O3 | ||||||||
| Average Molecular Mass | 236.271 g/mol | ||||||||
| Monoisotopic Mass | 236.116 g/mol | ||||||||
| CAS Registry Number | 3663-21-6 | ||||||||
| IUPAC Name | N-(4-butyl-2-nitrophenyl)acetamide | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | CCCCC1=CC(=C(NC(C)=O)C=C1)[N+]([O-])=O | ||||||||
| InChI Identifier | InChI=1S/C12H16N2O3/c1-3-4-5-10-6-7-11(13-9(2)15)12(8-10)14(16)17/h6-8H,3-5H2,1-2H3,(H,13,15) | ||||||||
| InChI Key | XXHAVEZHZLGQOE-UHFFFAOYSA-N | ||||||||
| Chemical Taxonomy | |||||||||
| Description | belongs to the class of organic compounds known as acetanilides. These are organic compounds containing an acetamide group conjugated to a phenyl group. | ||||||||
| Kingdom | Organic compounds | ||||||||
| Super Class | Benzenoids | ||||||||
| Class | Benzene and substituted derivatives | ||||||||
| Sub Class | Anilides | ||||||||
| Direct Parent | Acetanilides | ||||||||
| Alternative Parents | |||||||||
| Substituents |
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| Molecular Framework | Aromatic homomonocyclic compounds | ||||||||
| External Descriptors | Not Available | ||||||||
| Biological Properties | |||||||||
| Status | Detected and Not Quantified | ||||||||
| Origin | Not Available | ||||||||
| Cellular Locations | Not Available | ||||||||
| Biofluid Locations | Not Available | ||||||||
| Tissue Locations | Not Available | ||||||||
| Pathways | Not Available | ||||||||
| Applications | Not Available | ||||||||
| Biological Roles | Not Available | ||||||||
| Chemical Roles | Not Available | ||||||||
| Physical Properties | |||||||||
| State | Not Available | ||||||||
| Appearance | Not Available | ||||||||
| Experimental Properties |
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| Predicted Properties | Not Available | ||||||||
| Spectra | |||||||||
| Spectra | Not Available | ||||||||
| Toxicity Profile | |||||||||
| Route of Exposure | Not Available | ||||||||
| Mechanism of Toxicity | Not Available | ||||||||
| Metabolism | Not Available | ||||||||
| Toxicity Values | Not Available | ||||||||
| Lethal Dose | Not Available | ||||||||
| Carcinogenicity (IARC Classification) | Not Available | ||||||||
| Uses/Sources | Not Available | ||||||||
| Minimum Risk Level | Not Available | ||||||||
| Health Effects | Not Available | ||||||||
| Symptoms | Not Available | ||||||||
| Treatment | Not Available | ||||||||
| Concentrations | |||||||||
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| External Links | |||||||||
| DrugBank ID | Not Available | ||||||||
| HMDB ID | Not Available | ||||||||
| FooDB ID | Not Available | ||||||||
| Phenol Explorer ID | Not Available | ||||||||
| KNApSAcK ID | Not Available | ||||||||
| BiGG ID | Not Available | ||||||||
| BioCyc ID | Not Available | ||||||||
| METLIN ID | Not Available | ||||||||
| PDB ID | Not Available | ||||||||
| Wikipedia Link | Not Available | ||||||||
| Chemspider ID | Not Available | ||||||||
| ChEBI ID | Not Available | ||||||||
| PubChem Compound ID | 77228 | ||||||||
| Kegg Compound ID | Not Available | ||||||||
| YMDB ID | Not Available | ||||||||
| ECMDB ID | Not Available | ||||||||
| References | |||||||||
| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
