| CAS Number | 568581-08-8 |
| Catalog Number | AG01FFXM(AGN-PC-3H4AHG) |
| Chemical Name | [4-[(2-Pyridinylamino)methyl]phenyl]boronic acid |
| IUPAC Name | [4-[(pyridin-2-ylamino)methyl]phenyl]boronic acid |
| InChI | InChI=1S/C12H13BN2O2/c16-13(17)11-6-4-10(5-7-11)9-15-12-3-1-2-8-14-12/h1-8,16-17H,9H2,(H,14,15) |
| InChI Key | DBKSJHGXZQAIMF-UHFFFAOYSA-N |
| MDL Number | MFCD31916456 |
| Molecular Formula | C12H13BN2O2 |
| Molecular Weight | 228.0548 |
| SMILES | OB(C1=CC=C(CNC2=NC=CC=C2)C=C1)O |
| Synonyms | 568581-08-8,
SCHEMBL3044807,
DBKSJHGXZQAIMF-UHFFFAOYSA-N,
AS-55488,
4-[(2-pyridinylamino)methyl]phenylboronic acid,
[4-[(2-Pyridinylamino)methyl]phenyl]boronic acid,
(4-{[(pyridin-2-yl)amino]methyl}phenyl)boronic acid,
|
| Complexity | 221 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 228.107g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 228.058g/mol |
| Monoisotopic Mass | 228.107g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 65.4A^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