Determine the necessary mass, volume, or concentration for preparing a solution.
≥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 | B1(OC(C(O1)(C)C)(C)C)C2=CN(N=C2)C3(CN(C3)C(=O)OC(C)(C)C)CC#N |
|---|---|
| IUPAC Name | tert-butyl 3-(cyanomethyl)-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]azetidine-1-carboxylate |
| InChIKey | KZNCBQULUUIOLT-UHFFFAOYSA-N |
| INCHI | 1S/C19H29BN4O4/c1-16(2,3)26-15(25)23-12-19(13-23,8-9-21)24-11-14(10-22-24)20-27-17(4,5)18(6,7)28-20/h10-11H,8,12-13H2,1-7H3 |
| Isomeric SMILES | B1(OC(C(O1)(C)C)(C)C)C2=CN(N=C2)C3(CN(C3)C(=O)OC(C)(C)C)CC#N |
| PubChem CID | 67457197 |
| Molecular Weight | 388.3 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →| Molecular Weight | 388.300 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 5 |
| Exact Mass | 388.228 Da |
| Monoisotopic Mass | 388.228 Da |
| Topological Polar Surface Area | 89.600 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 659.000 |
| 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 |