| CAS Number | 250383-80-3 |
| Catalog Number | AG01DHCE |
| Chemical Name | Boronic acid, B-[2-(4-methyl-1-piperazinyl)phenyl]- |
| IUPAC Name | [2-(4-methylpiperazin-1-yl)phenyl]boronic acid |
| InChI | InChI=1S/C11H17BN2O2/c1-13-6-8-14(9-7-13)11-5-3-2-4-10(11)12(15)16/h2-5,15-16H,6-9H2,1H3 |
| InChI Key | NXHJNDDIBAAYDR-UHFFFAOYSA-N |
| MDL Number | MFCD22570819 |
| Molecular Formula | C11H17BN2O2 |
| Molecular Weight | 220.0759 |
| SMILES | B(O)(O)c1c(cccc1)N1CCN(CC1)C |
| Synonyms | [2-(4-methyl-1-piperazinyl)phenyl]boronic acid,
250383-80-3,
SCHEMBL4008990,
AS-55748,
[2-(4-methylpiperazin-1-yl)phenyl]boronic acid,
|
| Complexity | 220 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 220.138g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 220.079g/mol |
| Monoisotopic Mass | 220.138g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 46.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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