Determine the necessary mass, volume, or concentration for preparing a solution.
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analytical standard, 100ug/ml in petroleum ether Analytical standard for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 25 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Sonrisas canónicas | CC1=C(C(=CC=C1)C)N(C(C)C(=O)OC)C(=O)COC |
|---|---|
| IUPAC Name | methyl 2-(N-(2-methoxyacetyl)-2,6-dimethylanilino)propanoate |
| InChIKey | ZQEIXNIJLIKNTD-UHFFFAOYSA-N |
| INCHI | 1S/C15H21NO4/c1-10-7-6-8-11(2)14(10)16(13(17)9-19-4)12(3)15(18)20-5/h6-8,12H,9H2,1-5H3 |
| Isómeros SMILES | CC1=C(C(=CC=C1)C)N(C(C)C(=O)OC)C(=O)COC |
| WGK Alemania | 2 |
| RTECS | AY6910000 |
| Peso molecular | 279.33 |
| Beilstein | 2947777 |
| Reaxy-Rn | 2947777 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2947777&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic acids and derivatives |
| Clase | Carboxylic acids and derivatives |
| Subclass | Amino acids, peptides, and analogues |
| Intermediate Tree Nodes | Amino acids and derivatives - Alpha amino acids and derivatives |
| Direct Parent | Alpha amino acid esters |
| Alternative Parents | Alanine and derivatives Anilides m-Xylenes Tertiary carboxylic acid amides Methyl esters Monocarboxylic acids and derivatives Dialkyl ethers Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Alpha-amino acid ester - Alanine or derivatives - Anilide - M-xylene - Xylene - Monocyclic benzene moiety - Benzenoid - Tertiary carboxylic acid amide - Methyl ester - Carboxylic acid ester - Carboxamide group - Monocarboxylic acid or derivatives - Ether - Dialkyl ether - Organopnictogen compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as alpha amino acid esters. These are ester derivatives of alpha amino acids. |
| External Descriptors | ether - methyl ester - aromatic amide - alanine derivative - carboxamide |
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Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Fecha | Articulo |
|---|---|---|---|
| Certificate of Analysis | Apr 26, 2022 | M110061 |
| Solubilidad | Slightly soluble in water, soluble in most organic solvents. |
|---|---|
| Punto de inflamación (°F) | 100 °C |
| Punto de inflamación (°C) | 100°C |
| Punto de fusión (°C) | 71.8-72.3°C |
| Peso molecular | 279.330 g/mol |
| XLogP3 | 1.600 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 6 |
| Exact Mass | 279.147 Da |
| Monoisotopic Mass | 279.147 Da |
| Topological Polar Surface Area | 55.800 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 335.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| 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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