| CAS Number | 1190095-11-4 |
| Catalog Number | AG01EHYC(AGN-PC-0687X4) |
| Chemical Name | (4-{[(4-methylphenyl)amino]methyl}phenyl)boronic acid |
| IUPAC Name | [4-[(4-methylanilino)methyl]phenyl]boronic acid |
| InChI | InChI=1S/C14H16BNO2/c1-11-2-8-14(9-3-11)16-10-12-4-6-13(7-5-12)15(17)18/h2-9,16-18H,10H2,1H3 |
| InChI Key | YOMNWNPLCCZFQN-UHFFFAOYSA-N |
| MDL Number | MFCD31916440 |
| Molecular Formula | C14H16BNO2 |
| Molecular Weight | 241.0933 |
| SMILES | B(c1ccc(cc1)CNc2ccc(cc2)C)(O)O |
| Synonyms | 1190095-11-4,
Penn Chem-GAM_009,
PSP009,
AS-55464,
(4-((p-tolylamino)methyl)phenyl)boronic acid,
(4-{[(4-methylphenyl)amino]methyl}phenyl)boronic acid,
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| Complexity | 234 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 241.127g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 241.097g/mol |
| Monoisotopic Mass | 241.127g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 52.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number