N-(4,4,4-Trifluoro-3-oxo-1-phenylbutan-2-yl)ethanimidic acid (CHEM100530)
| Record Information | |||||||||
|---|---|---|---|---|---|---|---|---|---|
| Version | 1.0 | ||||||||
| Creation Date | 2026-04-05 11:46:36 UTC | ||||||||
| Update Date | 2026-04-14 16:48:22 UTC | ||||||||
| Accession Number | CHEM100530 | ||||||||
| Identification | |||||||||
| Common Name | N-(4,4,4-Trifluoro-3-oxo-1-phenylbutan-2-yl)ethanimidic acid | ||||||||
| Class | Small Molecule | ||||||||
| Description | N-(4,4,4-Trifluoro-3-oxo-1-phenylbutan-2-yl)ethanimidic acid belongs to the phenethylamines, a subclass of benzene and substituted derivatives within the organic compounds. This compound has the chemical formula C12H12F3NO2 and an average molecular weight of 259.23 g/mol. Within its pharmacological profile, one protein target has been recorded: Chymotrypsinogen B (CTRB1). | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C12H12F3NO2 | ||||||||
| Average Molecular Mass | 259.228 g/mol | ||||||||
| Monoisotopic Mass | 259.082 g/mol | ||||||||
| CAS Registry Number | 128656-63-3 | ||||||||
| IUPAC Name | Not Available | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | [H][C@@](CC1=CC=CC=C1)(N=C(C)O)C(=O)C(F)(F)F | ||||||||
| InChI Identifier | InChI=1S/C12H12F3NO2/c1-8(17)16-10(11(18)12(13,14)15)7-9-5-3-2-4-6-9/h2-6,10H,7H2,1H3,(H,16,17)/t10-/m0/s1 | ||||||||
| InChI Key | JTIIYPHJIDENCW-JTQLQIEISA-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 |
| ||||||||
| Predicted Properties | Not Available | ||||||||
| Spectra | |||||||||
| Spectra |
| ||||||||
| 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 | |||||||||
| Not Available | |||||||||
| External Links | |||||||||
| Identifiers | Not Available | ||||||||
| References | |||||||||
| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
