| CAS Number | 1430471-81-0 |
| Catalog Number | AG00HWS9(AGN-PC-0WQZXL) |
| Chemical Name | 3-Methoxy-4-(N-methylpiperidin-4-yloxy)phenylboronic acid pinacol ester |
| IUPAC Name | 4-[2-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]-1-methylpiperidine |
| InChI | InChI=1S/C19H30BNO4/c1-18(2)19(3,4)25-20(24-18)14-7-8-16(17(13-14)22-6)23-15-9-11-21(5)12-10-15/h7-8,13,15H,9-12H2,1-6H3 |
| InChI Key | BYPGDPVUHPIIDK-UHFFFAOYSA-N |
| MDL Number | MFCD30527674 |
| Molecular Formula | C19H30BNO4 |
| Molecular Weight | 347.2568 |
| SMILES | COc1cc(ccc1OC1CCN(CC1)C)B1OC(C(O1)(C)C)(C)C |
| Synonyms | 3-Methoxy-4-(N-methylpiperidin-4-yloxy)phenylboronic acid pinacol ester,
1430471-81-0,
SCHEMBL14861686,
BYPGDPVUHPIIDK-UHFFFAOYSA-N,
4-(2-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy)-1-methylpiperidine,
|
| Complexity | 435 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 347.227g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 347.262g/mol |
| Monoisotopic Mass | 347.227g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 40.2A^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