| CAS Number | 874297-89-9 |
| Catalog Number | AG01CMB4(AGN-PC-0WCSDR) |
| Chemical Name | 4-methyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperidine-1-carboxamide |
| IUPAC Name | 4-methyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperidine-1-carboxamide |
| InChI | InChI=1S/C19H29BN2O3/c1-14-10-12-22(13-11-14)17(23)21-16-8-6-15(7-9-16)20-24-18(2,3)19(4,5)25-20/h6-9,14H,10-13H2,1-5H3,(H,21,23) |
| InChI Key | ZOJWEHSRHWFKGV-UHFFFAOYSA-N |
| MDL Number | MFCD28805779 |
| Molecular Formula | C19H29BN2O3 |
| Molecular Weight | 344.2562 |
| SMILES | CC1CCN(CC1)C(=O)NC1=CC=C(C=C1)B1OC(C(O1)(C)C)(C)C |
| Synonyms | 4-methyl-N-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)piperidine-1-carboxamide,
874297-89-9,
4-METHYL-N-[4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL]PIPERIDINE-1-CARBOXAMIDE,
MFCD28805779,
ZINC230549068,
AM87700,
AS-55404,
|
| Complexity | 465 |
| 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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