| CAS Number | 756520-99-7 |
| Catalog Number | AG01FPTM(AGN-PC-3H5P56) |
| Chemical Name | 4-Morpholineethanesulfonamide, N-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]- |
| IUPAC Name | 2-morpholin-4-yl-N-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethanesulfonamide |
| InChI | InChI=1S/C18H29BN2O5S/c1-17(2)18(3,4)26-19(25-17)15-6-5-7-16(14-15)20-27(22,23)13-10-21-8-11-24-12-9-21/h5-7,14,20H,8-13H2,1-4H3 |
| InChI Key | USIVHZOHRVYSSQ-UHFFFAOYSA-N |
| MDL Number | MFCD32206533 |
| Molecular Formula | C18H29BN2O5S |
| Molecular Weight | 396.3093 |
| SMILES | O=S(CCN1CCOCC1)(NC2=CC=CC(B3OC(C)(C)C(C)(C)O3)=C2)=O |
| Synonyms | SCHEMBL488233,
AS-74309,
2-(morpholin-4-yl)-N-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethane-1-sulfonamide,
756520-99-7,
|
| Complexity | 585 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 396.189023g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 27 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 396.3g/mol |
| Monoisotopic Mass | 396.189023g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 85.5Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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