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≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships 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 | CC(C)(C)OC(=O)NCC1=NC2=C(C=NN2C)C(=O)N1 |
|---|---|
| IUPAC Name | tert-butyl N-[(1-methyl-4-oxo-5H-pyrazolo[3,4-d]pyrimidin-6-yl)methyl]carbamate |
| InChIKey | QRVYYVROVBNMMN-UHFFFAOYSA-N |
| INCHI | 1S/C12H17N5O3/c1-12(2,3)20-11(19)13-6-8-15-9-7(10(18)16-8)5-14-17(9)4/h5H,6H2,1-4H3,(H,13,19)(H,15,16,18) |
| Isomeric SMILES | CC(C)(C)OC(=O)NCC1=NC2=C(C=NN2C)C(=O)N1 |
| Alternate CAS | 1015856-23-1 |
| PubChem CID | 135741945 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →| Molecular Weight | 279.300 g/mol |
|---|---|
| XLogP3 | 0.100 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 4 |
| Exact Mass | 279.133 Da |
| Monoisotopic Mass | 279.133 Da |
| Topological Polar Surface Area | 97.600 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 443.000 |
| 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 |