≥98% 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 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | CCOCCCNC1=NC2=C(N1CC=C)C(=O)NC(=O)N2C |
|---|---|
| IUPAC Name | 8-(3-ethoxypropylamino)-3-methyl-7-prop-2-enylpurine-2,6-dione |
| InChIKey | NKDBZXLYNOCKAZ-UHFFFAOYSA-N |
| INCHI | 1S/C14H21N5O3/c1-4-8-19-10-11(18(3)14(21)17-12(10)20)16-13(19)15-7-6-9-22-5-2/h4H,1,5-9H2,2-3H3,(H,15,16)(H,17,20,21) |
| Molecular Weight | 307.35 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Imidazopyrimidines |
| Subclass | Purines and purine derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Xanthines |
| Alternative Parents | 6-oxopurines Alkaloids and derivatives Pyrimidones N-substituted imidazoles Aminoimidazoles Vinylogous amides Heteroaromatic compounds Ureas Lactams Dialkyl ethers Azacyclic compounds Organic oxides Hydrocarbon derivatives Amines |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Xanthine - 6-oxopurine - Purinone - Alkaloid or derivatives - Pyrimidone - Aminoimidazole - Pyrimidine - N-substituted imidazole - Heteroaromatic compound - Azole - Vinylogous amide - Imidazole - Urea - Lactam - Azacycle - Dialkyl ether - Ether - Organic oxide - Hydrocarbon derivative - Amine - Organic nitrogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as xanthines. These are purine derivatives with a ketone group conjugated at carbons 2 and 6 of the purine moiety. |
| External Descriptors | Not available |
| Molecular Weight | 307.350 g/mol |
|---|---|
| XLogP3 | 1.000 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 8 |
| Exact Mass | 307.164 Da |
| Monoisotopic Mass | 307.164 Da |
| Topological Polar Surface Area | 88.500 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 431.000 |
| 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 |
