| CAS Number | 2096336-81-9 |
| Catalog Number | AG01EHGD |
| Chemical Name | 2-Piperazinopyridine-3-boronic acid DiHCl |
| IUPAC Name | (2-piperazin-1-ylpyridin-3-yl)boronic acid;dihydrochloride |
| InChI | InChI=1S/C9H14BN3O2.2ClH/c14-10(15)8-2-1-3-12-9(8)13-6-4-11-5-7-13;;/h1-3,11,14-15H,4-7H2;2*1H |
| InChI Key | OZJOKXFZOCNPCO-UHFFFAOYSA-N |
| MDL Number | MFCD22205757 |
| Molecular Formula | C9H16BCl2N3O2 |
| Molecular Weight | 279.9592 |
| SMILES | OB(c1cccnc1N1CCNCC1)O.Cl.Cl |
| Synonyms | 2096336-81-9,
2-Piperazinopyridine-3-boronic acid DiHCl,
2-Piperazinopyridine-3-boronic acid dihydrochloride,
(2-(Piperazin-1-yl)pyridin-3-yl)boronic acid dihydrochloride,
C9H14BN3O2.2ClH,
MFCD22205757,
Y2376,
B-9134,
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| Complexity | 200 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 279.071g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 5 |
| Isotope Atom Count | 0 |
| Molecular Weight | 279.956g/mol |
| Monoisotopic Mass | 279.071g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 68.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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