| CAS Number | 1313737-75-5 |
| Catalog Number | AG009YHC(AGN-PC-0WCRJQ) |
| Chemical Name | 2-((4-Methylpiperidin-1-yl)methyl)phenylboronic acid |
| IUPAC Name | [2-[(4-methylpiperidin-1-yl)methyl]phenyl]boronic acid |
| InChI | InChI=1S/C13H20BNO2/c1-11-6-8-15(9-7-11)10-12-4-2-3-5-13(12)14(16)17/h2-5,11,16-17H,6-10H2,1H3 |
| InChI Key | PIRJBWDBULRMBB-UHFFFAOYSA-N |
| MDL Number | MFCD16198058 |
| Molecular Formula | C13H20BNO2 |
| Molecular Weight | 233.1144 |
| SMILES | C(c1c(B(O)O)cccc1)N1CCC(CC1)C |
| Synonyms | 2-((4-methylpiperidin-1-yl)methyl)phenylboronic acid,
1313737-75-5,
MFCD16198058,
AKOS005974571,
ZINC199007757,
AM86504,
AS-55308,
{2-[(4-methylpiperidin-1-yl)methyl]phenyl}boronic acid,
|
| 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
Lot Number