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≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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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.
| Sonrisas canónicas | B1(OC(C(O1)(C)C)(C)C)C2=CN(N=C2)CCN3CCC3 |
|---|---|
| IUPAC Name | 1-[2-(azetidin-1-yl)ethyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole |
| InChIKey | UPOMLRSTOUFYAC-UHFFFAOYSA-N |
| INCHI | 1S/C14H24BN3O2/c1-13(2)14(3,4)20-15(19-13)12-10-16-18(11-12)9-8-17-6-5-7-17/h10-11H,5-9H2,1-4H3 |
| Isómeros SMILES | B1(OC(C(O1)(C)C)(C)C)C2=CN(N=C2)CCN3CCC3 |
| PubChem CID | 90164224 |
| Peso molecular | 277.18 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic acids and derivatives |
| Clase | Boronic acid derivatives |
| Subclass | Boronic acid esters |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Boronic acid esters |
| Alternative Parents | Pyrazoles Heteroaromatic compounds Dioxaborolanes Trialkylamines Azetidines Oxacyclic compounds Organic metalloid salts Azacyclic compounds Organooxygen compounds Organometalloid compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Azole - Boronic acid ester - 1,3,2-dioxaborolane - Heteroaromatic compound - Pyrazole - Azetidine - Tertiary amine - Tertiary aliphatic amine - Oxacycle - Organoheterocyclic compound - Organic metalloid salt - Azacycle - Amine - Organooxygen compound - Organonitrogen compound - Organic metalloid moeity - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as boronic acid esters. These are compounds comprising the boronic acid ester functional group RN(X)OR' (R,R'=alkyl, aryl; X= any O, N, Hal residue). |
| External Descriptors | Not available |
| Peso molecular | 277.170 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 4 |
| Exact Mass | 277.196 Da |
| Monoisotopic Mass | 277.196 Da |
| Topological Polar Surface Area | 39.500 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 344.000 |
| 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 |