| CAS Number | 1628017-79-7 |
| Catalog Number | AG00ARL4(AGN-PC-0WCSGF) |
| Chemical Name | 2-morpholino-N-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)acetamide |
| IUPAC Name | 2-morpholin-4-yl-N-[4-(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)14-5-7-15(8-6-14)20-16(22)13-21-9-11-23-12-10-21/h5-8H,9-13H2,1-4H3,(H,20,22) |
| InChI Key | SFFFBEIBSUGYAW-UHFFFAOYSA-N |
| MDL Number | MFCD28400533 |
| Molecular Formula | C18H27BN2O4 |
| Molecular Weight | 346.2290 |
| SMILES | CC1(OB(OC1(C)C)C1=CC=C(C=C1)NC(CN1CCOCC1)=O)C |
| Synonyms | 2-morpholino-N-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)acetamide,
1628017-79-7,
SCHEMBL16015039,
MFCD28400533,
ZINC225137961,
AM87871,
AS-55340,
A1-11791,
2-(MORPHOLIN-4-YL)-N-[4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL]ACETAMIDE,
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| Complexity | 456 |
| 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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