| CAS Number | 2096336-57-9 |
| Catalog Number | AG01EHGA |
| Chemical Name | 2-Piperazinopyridine-3-boronic acid, pinacol ester, DiHCl |
| IUPAC Name | 1-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]piperazine;dihydrochloride |
| InChI | InChI=1S/C15H24BN3O2.2ClH/c1-14(2)15(3,4)21-16(20-14)12-6-5-7-18-13(12)19-10-8-17-9-11-19;;/h5-7,17H,8-11H2,1-4H3;2*1H |
| InChI Key | JRSUYHYCYIQOQE-UHFFFAOYSA-N |
| MDL Number | MFCD22205816 |
| Molecular Formula | C15H26BCl2N3O2 |
| Molecular Weight | 362.1028 |
| SMILES | CC1(C)OB(OC1(C)C)c1cccnc1N1CCNCC1.Cl.Cl |
| Synonyms | 2096336-57-9,
2-Piperazinopyridine-3-boronic acid, pinacol ester, dihydrochloride,
1-(3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl)piperazine dihydrochloride,
MFCD22205816,
B-9799,
2-Piperazinopyridine-3-boronic acid, pinacol ester, DiHCl,
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| Complexity | 356 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 361.15g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 362.102g/mol |
| Monoisotopic Mass | 361.15g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 46.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number