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 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)N1CC(C1)N2C3=NC=NC(=C3C(=N2)I)N |
|---|---|
| IUPAC Name | tert-butyl 3-(4-amino-3-iodopyrazolo[3,4-d]pyrimidin-1-yl)azetidine-1-carboxylate |
| InChIKey | FJVXFVCBMHGHCE-UHFFFAOYSA-N |
| INCHI | 1S/C13H17IN6O2/c1-13(2,3)22-12(21)19-4-7(5-19)20-11-8(9(14)18-20)10(15)16-6-17-11/h6-7H,4-5H2,1-3H3,(H2,15,16,17) |
| Isomeric SMILES | CC(C)(C)OC(=O)N1CC(C1)N2C3=NC=NC(=C3C(=N2)I)N |
| PubChem CID | 22346992 |
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 | 416.220 g/mol |
|---|---|
| XLogP3 | 1.200 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 3 |
| Exact Mass | 416.046 Da |
| Monoisotopic Mass | 416.046 Da |
| Topological Polar Surface Area | 99.200 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 439.000 |
| 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 |