| CAS Number | 2246831-80-9 |
| Catalog Number | AG01FKZV(AGN-PC-3H4B12) |
| Chemical Name | 3-(4-methylpentanamido)phenylboronic acid |
| IUPAC Name | [3-(4-methylpentanoylamino)phenyl]boronic acid |
| InChI | InChI=1S/C12H18BNO3/c1-9(2)6-7-12(15)14-11-5-3-4-10(8-11)13(16)17/h3-5,8-9,16-17H,6-7H2,1-2H3,(H,14,15) |
| InChI Key | OMBYASWOTHSBET-UHFFFAOYSA-N |
| MDL Number | MFCD31916476 |
| Molecular Formula | C12H18BNO3 |
| Molecular Weight | 235.0872 |
| SMILES | CC(C)CCC(NC1=CC(B(O)O)=CC=C1)=O |
| Synonyms | 2246831-80-9,
SCHEMBL15981338,
3-(4-methylpentanamido)phenylboronic acid,
AS-55527,
[3-(4-methylpentanamido)phenyl]boronic acid,
|
| Complexity | 246 |
| 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 | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 235.09g/mol |
| Monoisotopic Mass | 235.138g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 69.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number