Ethyl 4-((1-oxoallyl)amino)benzoate (CHEM065165)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-04-03 14:47:14 UTC | ||||||||
| Update Date | 2026-04-03 14:47:14 UTC | ||||||||
| Accession Number | CHEM065165 | ||||||||
| Identification | |||||||||
| Common Name | Ethyl 4-((1-oxoallyl)amino)benzoate | ||||||||
| Class | Small Molecule | ||||||||
| Description | Ethyl 4-((1-oxoallyl)amino)benzoate belongs to the benzoic acids and derivatives, a subclass of benzene and substituted derivatives within the organic compounds. This benzenoid compound has the formula C12H13N1O3 and an average molecular weight of 219.24 g/mol. | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C12H13N1O3 | ||||||||
| Average Molecular Mass | 219.240 g/mol | ||||||||
| Monoisotopic Mass | 219.090 g/mol | ||||||||
| CAS Registry Number | 14745-58-5 | ||||||||
| IUPAC Name | ethyl 4-(prop-2-enoylamino)benzoate | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | CCOC(=O)C1=CC=C(NC(=O)C=C)C=C1 | ||||||||
| InChI Identifier | InChI=1S/C12H13NO3/c1-3-11(14)13-10-7-5-9(6-8-10)12(15)16-4-2/h3,5-8H,1,4H2,2H3,(H,13,14) | ||||||||
| InChI Key | WPLURKJQMNROKG-UHFFFAOYSA-N | ||||||||
| Chemical Taxonomy | |||||||||
| Classification | Not classified | ||||||||
| 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 | ||||||||
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| 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 | ||||||||
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| Identifiers | Not Available | ||||||||
| References | |||||||||
| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
