| CAS Number | 1333388-05-8 |
| Catalog Number | AG01EB45(AGN-PC-0ANTJS) |
| Chemical Name | Boronic acid, B-[2-[(4-ethyl-1-piperazinyl)methyl]phenyl]- |
| IUPAC Name | [2-[(4-ethylpiperazin-1-yl)methyl]phenyl]boronic acid |
| InChI | InChI=1S/C13H21BN2O2/c1-2-15-7-9-16(10-8-15)11-12-5-3-4-6-13(12)14(17)18/h3-6,17-18H,2,7-11H2,1H3 |
| InChI Key | WLVYWZAGOGWEBO-UHFFFAOYSA-N |
| MDL Number | MFCD16198138 |
| Molecular Formula | C13H21BN2O2 |
| Molecular Weight | 248.1290 |
| SMILES | C(c1c(B(O)O)cccc1)N1CCN(CC1)CC |
| Synonyms | 1333388-05-8,
AKOS005974980,
AS-55457,
{2-[(4-ethylpiperazin-1-yl)methyl]phenyl}boronic acid,
Boronic acid, B-[2-[(4-ethyl-1-piperazinyl)methyl]phenyl]-,
|
| Complexity | 245 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 248.17g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 248.133g/mol |
| Monoisotopic Mass | 248.17g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 46.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number