| CAS Number | 262352-25-0 |
| Catalog Number | AG01FNWM(AGN-PC-006J7M) |
| Chemical Name | (2-((m-Tolylamino)methyl)phenyl)boronic acid |
| IUPAC Name | [2-[(3-methylanilino)methyl]phenyl]boronic acid |
| InChI | InChI=1S/C14H16BNO2/c1-11-5-4-7-13(9-11)16-10-12-6-2-3-8-14(12)15(17)18/h2-9,16-18H,10H2,1H3 |
| InChI Key | BLPQXNYHXVTCIG-UHFFFAOYSA-N |
| MDL Number | MFCD28009310 |
| Molecular Formula | C14H16BNO2 |
| Molecular Weight | 241.0933 |
| SMILES | Cc1cccc(c1)NCc1ccccc1B(O)O |
| Synonyms | AS-69823,
2-(3-Methylphenylaminomethyl)phenylboronic acid,
(2-{[(3-methylphenyl)amino]methyl}phenyl)boronic acid,
262352-25-0,
CID11311026,
[2-[[(3-methylphenyl)amino]methyl]phenyl]boronic Acid,
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| Complexity | 250 |
| 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 | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 241.1g/mol |
| Monoisotopic Mass | 241.127409g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 52.5Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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