| CAS Number | 1312921-38-2 |
| Catalog Number | AG009YIG(AGN-PC-0WCTIN) |
| Chemical Name | Boronic acid, B-[4-[2-(4-methyl-1-piperazinyl)ethoxy]phenyl]- |
| IUPAC Name | [4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]boronic acid |
| InChI | InChI=1S/C13H21BN2O3/c1-15-6-8-16(9-7-15)10-11-19-13-4-2-12(3-5-13)14(17)18/h2-5,17-18H,6-11H2,1H3 |
| InChI Key | JHNJMVDIFIIIMX-UHFFFAOYSA-N |
| MDL Number | MFCD16413622 |
| Molecular Formula | C13H21BN2O3 |
| Molecular Weight | 264.1284 |
| SMILES | CN1CCN(CC1)CCOC1=CC=C(C=C1)B(O)O |
| Synonyms | 1312921-38-2,
4-(2-(4-methylpiperazin-1-yl)ethoxy)phenylboronic acid,
(4-(2-(4-methylpiperazin-1-yl)ethoxy)phenyl)boronic acid,
{4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl}boronic acid,
SCHEMBL2562413,
MFCD16413622,
AKOS010796272,
ZINC203191725,
AM86501,
AS-55309,
BC4303308,
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| Complexity | 252 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 264.165g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 264.132g/mol |
| Monoisotopic Mass | 264.165g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 56.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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