| CAS Number | 1059171-55-9 |
| Catalog Number | AG01DUCM |
| Chemical Name | 2-(morpholin-4-yl)-N-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetamide |
| IUPAC Name | 2-morpholin-4-yl-N-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetamide |
| InChI | InChI=1S/C18H27BN2O4/c1-17(2)18(3,4)25-19(24-17)14-6-5-7-15(12-14)20-16(22)13-21-8-10-23-11-9-21/h5-7,12H,8-11,13H2,1-4H3,(H,20,22) |
| InChI Key | DKFMHWKHVHLCII-UHFFFAOYSA-N |
| MDL Number | MFCD31916428 |
| Molecular Formula | C18H27BN2O4 |
| Molecular Weight | 346.2290 |
| SMILES | B1(OC(C(O1)(C)C)(C)C)c2cccc(c2)NC(=O)CN3CCOCC3 |
| Synonyms | 1059171-55-9,
AS-55430,
2-(morpholin-4-yl)-N-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetamide,
2-morpholino-N-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)acetamide,
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| Complexity | 464 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 346.206g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 346.234g/mol |
| Monoisotopic Mass | 346.206g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 60A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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