| CAS Number | 2246754-80-1 |
| Catalog Number | AG01FPUZ(AGN-PC-3H5P63) |
| Chemical Name | N-(2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)piperidine-1-carboxamide |
| IUPAC Name | N-[2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperidine-1-carboxamide |
| InChI | InChI=1S/C19H29BN2O3/c1-14-13-15(20-24-18(2,3)19(4,5)25-20)9-10-16(14)21-17(23)22-11-7-6-8-12-22/h9-10,13H,6-8,11-12H2,1-5H3,(H,21,23) |
| InChI Key | ZNORGKKRQHXHPF-UHFFFAOYSA-N |
| MDL Number | MFCD32206544 |
| Molecular Formula | C19H29BN2O3 |
| Molecular Weight | 344.2562 |
| SMILES | O=C(N1CCCCC1)NC2=CC=C(B3OC(C)(C)C(C)(C)O3)C=C2C |
| Synonyms | AS-74354,
2246754-80-1,
N-[2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperidine-1-carboxamide,
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| Complexity | 475 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 344.227123g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 344.3g/mol |
| Monoisotopic Mass | 344.227123g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 50.8Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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