| CAS Number | 2246774-05-8 |
| Catalog Number | AG01FPCG(AGN-PC-3H5OMK) |
| Chemical Name | 4-Morpholinecarboxamide, N-[2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]- |
| IUPAC Name | N-[2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]morpholine-4-carboxamide |
| InChI | InChI=1S/C18H27BN2O4/c1-13-12-14(19-24-17(2,3)18(4,5)25-19)6-7-15(13)20-16(22)21-8-10-23-11-9-21/h6-7,12H,8-11H2,1-5H3,(H,20,22) |
| InChI Key | PXCIDBXOJOJZOG-UHFFFAOYSA-N |
| MDL Number | MFCD32206549 |
| Molecular Formula | C18H27BN2O4 |
| Molecular Weight | 346.2290 |
| SMILES | O=C(N1CCOCC1)NC2=CC=C(B3OC(C)(C)C(C)(C)O3)C=C2C |
| Synonyms | AS-74453,
2246774-05-8,
N-[2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]morpholine-4-carboxamide,
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| Complexity | 478 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 346.206388g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 346.2g/mol |
| Monoisotopic Mass | 346.206388g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 60Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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