| CAS Number | 1312921-22-4 |
| Catalog Number | AG009YHB(AGN-PC-0WCRJR) |
| Chemical Name | Boronic acid, B-[2-[(4-methyl-1-piperazinyl)methyl]phenyl]- |
| IUPAC Name | [2-[(4-methylpiperazin-1-yl)methyl]phenyl]boronic acid |
| InChI | InChI=1S/C12H19BN2O2/c1-14-6-8-15(9-7-14)10-11-4-2-3-5-12(11)13(16)17/h2-5,16-17H,6-10H2,1H3 |
| InChI Key | MJWYXYIAYRKIRW-UHFFFAOYSA-N |
| MDL Number | MFCD16198079 |
| Molecular Formula | C12H19BN2O2 |
| Molecular Weight | 234.1025 |
| SMILES | C(c1c(B(O)O)cccc1)N1CCN(CC1)C |
| Synonyms | 2-((4-methylpiperazin-1-yl)methyl)phenylboronic acid,
1312921-22-4,
SCHEMBL2553323,
MFCD16198079,
AKOS005974880,
ZINC198004591,
AM86500,
AS-55307,
2-(4-Methylpiperazinomethyl)phenylboronic acid,
{2-[(4-methylpiperazin-1-yl)methyl]phenyl}boronic acid,
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| Complexity | 233 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 234.154g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 234.106g/mol |
| Monoisotopic Mass | 234.154g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 46.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number