analytical standard Analytical standard for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Sonrisas canónicas | CC1=CC(=C(C(=C1)C(C)(C)C)OC(=O)NC)C(C)(C)C |
|---|---|
| IUPAC Name | (2,6-ditert-butyl-4-methylphenyl) N-methylcarbamate |
| InChIKey | PNRAZZZISDRWMV-UHFFFAOYSA-N |
| INCHI | 1S/C17H27NO2/c1-11-9-12(16(2,3)4)14(20-15(19)18-8)13(10-11)17(5,6)7/h9-10H,1-8H3,(H,18,19) |
| Isómeros SMILES | CC1=CC(=C(C(=C1)C(C)(C)C)OC(=O)NC)C(C)(C)C |
| RTECS | FB8525000 |
| PubChem CID | 15967 |
| Peso molecular | 277.4 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Clase | Benzene and substituted derivatives |
| Subclass | Phenyl methylcarbamates |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenyl methylcarbamates |
| Alternative Parents | Phenylpropanes Phenoxy compounds Toluenes Carbamate esters Organic carbonic acids and derivatives Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Phenyl methylcarbamate - Phenylpropane - Phenoxy compound - Toluene - Carbamic acid ester - Carbonic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aromatic homomonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as phenyl methylcarbamates. These are aromatic compounds containing a methylcarbamic acid esterified with a phenyl group. |
| External Descriptors | alkylbenzene |
| Peso molecular | 277.400 g/mol |
|---|---|
| XLogP3 | 5.200 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 4 |
| Exact Mass | 277.204 Da |
| Monoisotopic Mass | 277.204 Da |
| Topological Polar Surface Area | 38.300 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 314.000 |
| 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 |
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