| CAS Number | 1334171-28-6 |
| Catalog Number | AG009YIA(AGN-PC-0WCRK1) |
| Chemical Name | {4-[(4-ethylpiperazin-1-yl)methyl]phenyl}boronic acid |
| IUPAC Name | [4-[(4-ethylpiperazin-1-yl)methyl]phenyl]boronic acid |
| InChI | InChI=1S/C13H21BN2O2/c1-2-15-7-9-16(10-8-15)11-12-3-5-13(6-4-12)14(17)18/h3-6,17-18H,2,7-11H2,1H3 |
| InChI Key | POHAFGQAIGIQLG-UHFFFAOYSA-N |
| MDL Number | MFCD16198139 |
| Molecular Formula | C13H21BN2O2 |
| Molecular Weight | 248.1290 |
| SMILES | OB(C1=CC=C(CN2CCN(CC)CC2)C=C1)O |
| Synonyms | 1334171-28-6,
4-((4-ethylpiperazin-1-yl)methyl)phenylboronic acid,
(4-((4-ethylpiperazin-1-yl)methyl)phenyl)boronic acid,
{4-[(4-ethylpiperazin-1-yl)methyl]phenyl}boronic acid,
AKOS005974981,
ZINC199014193,
AM86530,
AS-55304,
[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]boronic acid,
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| Complexity | 237 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 248.169608g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 248.13g/mol |
| Monoisotopic Mass | 248.169608g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 46.9Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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