| CAS Number | 1334226-27-5 |
| Catalog Number | AG01FNMK(AGN-PC-3H4BFK) |
| Chemical Name | (3-((methyl(phenyl)amino)methyl)phenyl)boronic acid |
| IUPAC Name | [3-[(N-methylanilino)methyl]phenyl]boronic acid |
| InChI | InChI=1S/C14H16BNO2/c1-16(14-8-3-2-4-9-14)11-12-6-5-7-13(10-12)15(17)18/h2-10,17-18H,11H2,1H3 |
| InChI Key | ZJQLMGRDWCNSQU-UHFFFAOYSA-N |
| MDL Number | MFCD16198081 |
| Molecular Formula | C14H16BNO2 |
| Molecular Weight | 241.0933 |
| SMILES | B(c1cccc(c1)CN(C)c2ccccc2)(O)O |
| Synonyms | AKOS005974930,
ZINC170000188,
AS-68678,
(3-{[methyl(phenyl)amino]methyl}phenyl)boronic acid,
1334226-27-5,
|
| Complexity | 244 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 241.127409g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 241.1g/mol |
| Monoisotopic Mass | 241.127409g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 43.7Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number