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SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Sonrisas canónicas | CCOC(=O)CN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN3CC(OC(C3)C)C |
|---|---|
| IUPAC Name | ethyl 2-[8-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-dimethyl-2,6-dioxopurin-7-yl]acetate |
| InChIKey | LZBHZRCIZJRQGZ-UHFFFAOYSA-N |
| INCHI | 1S/C18H27N5O5/c1-6-27-14(24)10-23-13(9-22-7-11(2)28-12(3)8-22)19-16-15(23)17(25)21(5)18(26)20(16)4/h11-12H,6-10H2,1-5H3 |
| Peso molecular | 393.4 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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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 | Xanthines 6-oxopurines Alkaloids and derivatives Pyrimidones Aralkylamines N-substituted imidazoles Morpholines Vinylogous amides Heteroaromatic compounds Ureas Trialkylamines Carboxylic acid esters Lactams Oxacyclic compounds Azacyclic compounds Monocarboxylic acids and derivatives Dialkyl ethers Carbonyl compounds Organic oxides Organopnictogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Alpha-amino acid ester - Xanthine - 6-oxopurine - Purinone - Imidazopyrimidine - Purine - Alkaloid or derivatives - Pyrimidone - Aralkylamine - Pyrimidine - Morpholine - Oxazinane - N-substituted imidazole - Azole - Vinylogous amide - Heteroaromatic compound - Imidazole - Carboxylic acid ester - Urea - Tertiary aliphatic amine - Tertiary amine - Lactam - Azacycle - Oxacycle - Organoheterocyclic compound - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organic oxygen compound - Amine - Organopnictogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic 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 | Not available |
| Peso molecular | 393.400 g/mol |
|---|---|
| XLogP3 | 0.300 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 6 |
| Exact Mass | 393.201 Da |
| Monoisotopic Mass | 393.201 Da |
| Topological Polar Surface Area | 97.200 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 621.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
![2-[8-[(2,6-Dimethyl-4-morpholinyl)methyl]-1,3-dimethyl-2,6-dioxo-7-purinyl]acetic acid ethyl ester , CAS No.851940-54-0](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)