| CAS Number | 1221824-11-8 |
| Catalog Number | AG01FRHR(AGN-PC-3H5PMF) |
| Chemical Name | B-[4-[[bis(phenylmethyl)amino]methyl]phenyl]-Boronic acid |
| IUPAC Name | [4-[(dibenzylamino)methyl]phenyl]boronic acid |
| InChI | InChI=1S/C21H22BNO2/c24-22(25)21-13-11-20(12-14-21)17-23(15-18-7-3-1-4-8-18)16-19-9-5-2-6-10-19/h1-14,24-25H,15-17H2 |
| InChI Key | IYOBYOQMNHOEJU-UHFFFAOYSA-N |
| MDL Number | MFCD32206354 |
| Molecular Formula | C21H22BNO2 |
| Molecular Weight | 331.2159 |
| SMILES | OB(C1=CC=C(CN(CC2=CC=CC=C2)CC3=CC=CC=C3)C=C1)O |
| Synonyms | SCHEMBL12663169,
AS-70312,
{4-[(dibenzylamino)methyl]phenyl}boronic acid,
1221824-11-8,
|
| Complexity | 339 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 331.174359g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 331.2g/mol |
| Monoisotopic Mass | 331.174359g/mol |
| Rotatable Bond Count | 7 |
| 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