| CAS Number | 1226814-83-0 |
| Catalog Number | AG009YG2(AGN-PC-0WB3M2) |
| Chemical Name | (4-(1-Morpholinoethyl)phenyl)boronic acid |
| IUPAC Name | [4-(1-morpholin-4-ylethyl)phenyl]boronic acid |
| InChI | InChI=1S/C12H18BNO3/c1-10(14-6-8-17-9-7-14)11-2-4-12(5-3-11)13(15)16/h2-5,10,15-16H,6-9H2,1H3 |
| InChI Key | DFTTWASDXFJMSP-UHFFFAOYSA-N |
| MDL Number | MFCD09864341 |
| Molecular Formula | C12H18BNO3 |
| Molecular Weight | 235.0872 |
| SMILES | N1(CCOCC1)C(C)C1C=CC(=CC=1)B(O)O |
| Synonyms | 1226814-83-0,
(4-(1-MORPHOLINOETHYL)PHENYL)BORONIC ACID,
[4-(1-MORPHOLIN-4-YLETHYL)PHENYL]BORONIC ACID,
{4-[1-(4-morpholinyl)ethyl]phenyl}boronic acid,
(4-[1-(4-MORPHOLINYL)ETHYL]PHENYL)BORONIC ACID,
SCHEMBL2558602,
ZX-CM004541,
MFCD09864341,
AKOS022183868,
AB53837,
4-(1-morpholinoethyl)phenylboronic acid,
AS-49579,
DA-14073,
FT-0717409,
Y-5729,
4015557-25G,
(4-[1-(4-Morpholinyl)ethyl]phenyl)boronic acid, AldrichCPR,
(4-(1-morpholinoethyl)phenyl)boronic acid hydrochloride,
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| Complexity | 226 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 235.138g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 235.09g/mol |
| Monoisotopic Mass | 235.138g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 52.9A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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