| CAS Number | 1332746-94-7 |
| Catalog Number | AG009YFU(AGN-PC-0WCRJV) |
| Chemical Name | (3-((4-methylpiperidin-1-yl)methyl)phenyl)boronic acid |
| IUPAC Name | [3-[(4-methylpiperidin-1-yl)methyl]phenyl]boronic acid |
| InChI | InChI=1S/C13H20BNO2/c1-11-5-7-15(8-6-11)10-12-3-2-4-13(9-12)14(16)17/h2-4,9,11,16-17H,5-8,10H2,1H3 |
| InChI Key | ZRHAQCWKPCJKML-UHFFFAOYSA-N |
| MDL Number | MFCD16198055 |
| Molecular Formula | C13H20BNO2 |
| Molecular Weight | 233.1144 |
| SMILES | CC1CCN(CC1)CC=1C=C(C=CC1)B(O)O |
| Synonyms | (3-((4-methylpiperidin-1-yl)methyl)phenyl)boronic acid,
1332746-94-7,
{3-[(4-methylpiperidin-1-yl)methyl]phenyl}boronic acid,
MFCD16198055,
AKOS005974522,
ZINC199006877,
AM86514,
AS-55303,
|
| Complexity | 230 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 233.159g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 233.118g/mol |
| Monoisotopic Mass | 233.159g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 43.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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