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Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Sonrisas canónicas | CC(C)(C)OC(=O)NNC(=NCC(F)(F)F)CC1=CC=C(C=C1)OC |
|---|---|
| IUPAC Name | tert-butyl N-[[C-[(4-methoxyphenyl)methyl]-N-(2,2,2-trifluoroethyl)carbonimidoyl]amino]carbamate |
| InChIKey | AIQLVZCDZJBKLU-UHFFFAOYSA-N |
| INCHI | 1S/C16H22F3N3O3/c1-15(2,3)25-14(23)22-21-13(20-10-16(17,18)19)9-11-5-7-12(24-4)8-6-11/h5-8H,9-10H2,1-4H3,(H,20,21)(H,22,23) |
| Isómeros SMILES | CC(C)(C)OC(=O)NNC(=NCC(F)(F)F)CC1=CC=C(C=C1)OC |
| PubChem CID | 50998863 |
| Peso molecular | 361.37 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Clase | Phenol ethers |
| Subclass | Anisoles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Anisoles |
| Alternative Parents | Phenoxy compounds Methoxybenzenes Alkyl aryl ethers Hydrazinecarboxylic acid esters Amidrazones Propargyl-type 1,3-dipolar organic compounds Amidines Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Anisole - Methoxybenzene - Phenoxy compound - Alkyl aryl ether - Hydrazinecarboxylic acid ester - Monocyclic benzene moiety - Carboxylic acid amidrazone - Amidine - Ether - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organofluoride - Organohalogen compound - Alkyl halide - Carbonyl group - Alkyl fluoride - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic homomonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as anisoles. These are organic compounds containing a methoxybenzene or a derivative thereof. |
| External Descriptors | Not available |
| Peso molecular | 361.360 g/mol |
|---|---|
| XLogP3 | 3.200 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 8 |
| Exact Mass | 361.161 Da |
| Monoisotopic Mass | 361.161 Da |
| Topological Polar Surface Area | 72.000 Ų |
| Heavy Atom Count | 25 |
| Formal Charge | 0 |
| Complexity | 454.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
![[(1E)-1-({[(tert-butoxy)carbonyl]amino}imino)-2-(4-methoxyphenyl)ethyl](2,2,2-trifluoroethyl)amine , CAS No.1053657-61-6](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)