| CAS Number | 1007346-42-0 |
| Catalog Number | AG00H9B7 |
| Chemical Name | 1-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)piperidin-2-one |
| IUPAC Name | 1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperidin-2-one |
| InChI | InChI=1S/C17H24BNO3/c1-16(2)17(3,4)22-18(21-16)13-8-10-14(11-9-13)19-12-6-5-7-15(19)20/h8-11H,5-7,12H2,1-4H3 |
| InChI Key | GXGKCPXEVFWYEJ-UHFFFAOYSA-N |
| MDL Number | MFCD22415355 |
| Molecular Formula | C17H24BNO3 |
| Molecular Weight | 301.1884 |
| SMILES | O=C1CCCCN1c1ccc(cc1)B1OC(C(O1)(C)C)(C)C |
| Synonyms | 1-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)piperidin-2-one,
1007346-42-0,
1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperidin-2-one,
SCHEMBL2700073,
GXGKCPXEVFWYEJ-UHFFFAOYSA-N,
ZINC170005062,
|
| Complexity | 414 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 301.185g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 301.193g/mol |
| Monoisotopic Mass | 301.185g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 38.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number