| CAS Number | 756520-98-6 |
| Catalog Number | AG01FPVW(AGN-PC-3H5P6E) |
| Chemical Name | 2-(diethylamino)-N-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)ethanesulfonamide |
| IUPAC Name | 2-(diethylamino)-N-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethanesulfonamide |
| InChI | InChI=1S/C18H31BN2O4S/c1-7-21(8-2)12-13-26(22,23)20-16-11-9-10-15(14-16)19-24-17(3,4)18(5,6)25-19/h9-11,14,20H,7-8,12-13H2,1-6H3 |
| InChI Key | QYMNMFRQQPXTDE-UHFFFAOYSA-N |
| MDL Number | MFCD22494681 |
| Molecular Formula | C18H31BN2O4S |
| Molecular Weight | 382.3257 |
| SMILES | CCN(CCS(=O)(NC1=CC=CC(B2OC(C)(C)C(C)(C)O2)=C1)=O)CC |
| Synonyms | SCHEMBL488456,
AS-74403,
2-(diethylamino)-N-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethane-1-sulfonamide,
756520-98-6,
|
| Complexity | 542 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 382.209759g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 26 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 382.3g/mol |
| Monoisotopic Mass | 382.209759g/mol |
| Rotatable Bond Count | 8 |
| 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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