| CAS Number | 2246397-38-4 |
| Catalog Number | AG01CMMM(AGN-PC-3H45C6) |
| Chemical Name | 3-Methyl-N-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)piperidine-1-carboxamide |
| IUPAC Name | 3-methyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperidine-1-carboxamide |
| InChI | InChI=1S/C19H29BN2O3/c1-14-7-6-12-22(13-14)17(23)21-16-10-8-15(9-11-16)20-24-18(2,3)19(4,5)25-20/h8-11,14H,6-7,12-13H2,1-5H3,(H,21,23) |
| InChI Key | GAKUIGLMPHZWMG-UHFFFAOYSA-N |
| MDL Number | MFCD32206539 |
| Molecular Formula | C19H29BN2O3 |
| Molecular Weight | 344.2562 |
| SMILES | O=C(N1CC(C)CCC1)NC2=CC=C(B3OC(C)(C)C(C)(C)O3)C=C2 |
| Synonyms | AS-74349,
2246397-38-4,
3-methyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperidine-1-carboxamide,
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| Complexity | 473 |
| 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 | 1 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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