| CAS Number | 2096338-77-9 |
| Catalog Number | AG00JMKN(AGN-PC-3H454F) |
| Chemical Name | (4-(Piperazin-1-ylmethyl)phenyl)boronic acid hydrochloride |
| IUPAC Name | [4-(piperazin-1-ylmethyl)phenyl]boronic acid;hydrochloride |
| InChI | InChI=1S/C11H17BN2O2.ClH/c15-12(16)11-3-1-10(2-4-11)9-14-7-5-13-6-8-14;/h1-4,13,15-16H,5-9H2;1H |
| InChI Key | MOIVAAZPRSJOFB-UHFFFAOYSA-N |
| MDL Number | MFCD18783116 |
| Molecular Formula | C11H18BClN2O2 |
| Molecular Weight | 256.5368 |
| SMILES | OB(c1ccc(cc1)CN1CCNCC1)O.Cl |
| Synonyms | 2096338-77-9,
4-(Piperazin-1-ylmethyl)phenylboronic acid, HCl,
(4-(Piperazin-1-ylmethyl)phenyl)boronic acid hydrochloride,
4-(PIPERAZIN-1-YLMETHYL)PHENYLBORONIC ACID HYDROCHLORIDE,
C11H17BN2O2.ClH,
MFCD18783116,
AKOS027372483,
AS-55378,
Y2671,
4-(Piperazin-1-ylmethyl)phenylboronic acid HCl,
A-2997,
{4-[(piperazin-1-yl)methyl]phenyl}boronic acid hydrochloride,
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| Complexity | 202 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 256.115g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 256.537g/mol |
| Monoisotopic Mass | 256.115g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 55.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number