| CAS Number | 2096340-05-3 |
| Catalog Number | AG01EHA7(AGN-PC-3H45FH) |
| Chemical Name | 2-(N-Phenylaminomethyl)phenylboronic acid, pinacol ester |
| IUPAC Name | N-[[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]aniline |
| InChI | InChI=1S/C19H24BNO2/c1-18(2)19(3,4)23-20(22-18)17-13-9-8-10-15(17)14-21-16-11-6-5-7-12-16/h5-13,21H,14H2,1-4H3 |
| InChI Key | KDVGAKIPSYHHEG-UHFFFAOYSA-N |
| MDL Number | MFCD18434438 |
| Molecular Formula | C19H24BNO2 |
| Molecular Weight | 309.2104 |
| SMILES | CC1(C)C(C)(C)OB(C2=CC=CC=C2CNC3=CC=CC=C3)O1 |
| Synonyms | 2-(N-Phenylaminomethyl)phenylboronic acid, pinacol ester,
2096340-05-3,
N-(2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl)aniline,
MFCD18434438,
ZINC169935332,
A-3450,
|
| Complexity | 377 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 309.19g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 309.216g/mol |
| Monoisotopic Mass | 309.19g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 30.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number