Determine the necessary mass, volume, or concentration for preparing a solution.
≥97% 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 | CN1C2=NC=NC(=C2C(=N1)I)N |
|---|---|
| IUPAC Name | 3-iodo-1-methylpyrazolo[3,4-d]pyrimidin-4-amine |
| InChIKey | XDRBSXBQEOQZKM-UHFFFAOYSA-N |
| INCHI | 1S/C6H6IN5/c1-12-6-3(4(7)11-12)5(8)9-2-10-6/h2H,1H3,(H2,8,9,10) |
| Isomeric SMILES | CN1C2=NC=NC(=C2C(=N1)I)N |
| Molecular Weight | 275.053 |
| Reaxy-Rn | 11704850 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11704850&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 →| Molecular Weight | 275.050 g/mol |
|---|---|
| XLogP3 | 0.500 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 0 |
| Exact Mass | 274.967 Da |
| Monoisotopic Mass | 274.967 Da |
| Topological Polar Surface Area | 69.600 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 177.000 |
| 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 |