| CAS Number | 1072946-54-3 |
| Catalog Number | AG007WO2(AGN-PC-0WA76G) |
| Chemical Name | 3-(2-(Piperidin-1-yl)ethylcarbamoyl)phenylboronic acid |
| IUPAC Name | [3-(2-piperidin-1-ylethylcarbamoyl)phenyl]boronic acid |
| InChI | InChI=1S/C14H21BN2O3/c18-14(12-5-4-6-13(11-12)15(19)20)16-7-10-17-8-2-1-3-9-17/h4-6,11,19-20H,1-3,7-10H2,(H,16,18) |
| InChI Key | GYWYZQDPLDJVNG-UHFFFAOYSA-N |
| MDL Number | MFCD11053842 |
| Molecular Formula | C14H21BN2O3 |
| Molecular Weight | 276.1391 |
| SMILES | OB(O)C1=CC(=CC=C1)C(=O)NCCN1CCCCC1 |
| Synonyms | 1072946-54-3,
3-(2-(PIPERIDIN-1-YL)ETHYLCARBAMOYL)PHENYLBORONIC ACID,
(3-((2-(Piperidin-1-yl)ethyl)carbamoyl)phenyl)boronic acid,
(3-{[2-(Piperidin-1-yl)ethyl]carbamoyl}phenyl)boronic acid,
ACMC-2098sa,
SCHEMBL2558330,
CTK4A5262,
DTXSID70674570,
ANW-15656,
MFCD11053842,
AKOS015854184,
ZINC169904024,
RTR-001593,
TR-001593,
Z7052,
A-4579,
I04-2898,
C14H21BN2O3,
(3-((2-(Piperidin-1-yl)ethyl)carbamoyl)phenyl)boronicacid,
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| Complexity | 309 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 276.165g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 276.143g/mol |
| Monoisotopic Mass | 276.165g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 72.8A^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