| CAS Number | 874299-20-4 |
| Catalog Number | AG01DUD2(AGN-PC-0WCSDN) |
| Chemical Name | 4-Methyl-N-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)piperidine-1-carboxamide |
| IUPAC Name | 4-methyl-N-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperidine-1-carboxamide |
| InChI | InChI=1S/C19H29BN2O3/c1-14-9-11-22(12-10-14)17(23)21-16-8-6-7-15(13-16)20-24-18(2,3)19(4,5)25-20/h6-8,13-14H,9-12H2,1-5H3,(H,21,23) |
| InChI Key | QQRSLQQIVIWTEN-UHFFFAOYSA-N |
| MDL Number | MFCD28805778 |
| Molecular Formula | C19H29BN2O3 |
| Molecular Weight | 344.2562 |
| SMILES | O=C(N1CCC(C)CC1)NC2=CC=CC(B3OC(C)(C)C(C)(C)O3)=C2 |
| Synonyms | 4-methyl-N-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)piperidine-1-carboxamide,
874299-20-4,
4-METHYL-N-[3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL]PIPERIDINE-1-CARBOXAMIDE,
MFCD28805778,
ZINC230549207,
AM87701,
AS-55443,
|
| Complexity | 473 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 344.227g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 344.262g/mol |
| Monoisotopic Mass | 344.227g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 50.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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