| CAS Number | 756520-84-0 |
| Catalog Number | AG01FQ1A(AGN-PC-3H5P83) |
| Chemical Name | N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1-Piperidineethanesulfonamide |
| IUPAC Name | 2-piperidin-1-yl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethanesulfonamide |
| InChI | InChI=1S/C19H31BN2O4S/c1-18(2)19(3,4)26-20(25-18)16-8-10-17(11-9-16)21-27(23,24)15-14-22-12-6-5-7-13-22/h8-11,21H,5-7,12-15H2,1-4H3 |
| InChI Key | HIGPQKJUDGIKNR-UHFFFAOYSA-N |
| MDL Number | MFCD32206531 |
| Molecular Formula | C19H31BN2O4S |
| Molecular Weight | 394.3364 |
| SMILES | N1(CCCCC1)CCS(=O)(=O)NC1=CC=C(C=C1)B1OC(C(O1)(C)C)(C)C |
| Synonyms | SCHEMBL488908,
AS-74196,
2-(piperidin-1-yl)-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethane-1-sulfonamide,
756520-84-0,
|
| Complexity | 575 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 394.209759g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 27 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 394.3g/mol |
| Monoisotopic Mass | 394.209759g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 76.2Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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