| CAS Number | 380151-99-5 |
| Catalog Number | AG01EHYH(AGN-PC-0RF6CS) |
| Chemical Name | N-benzyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline |
| IUPAC Name | N-benzyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline |
| InChI | InChI=1S/C19H24BNO2/c1-18(2)19(3,4)23-20(22-18)16-11-8-12-17(13-16)21-14-15-9-6-5-7-10-15/h5-13,21H,14H2,1-4H3 |
| InChI Key | WAGWJZGRZKBLHO-UHFFFAOYSA-N |
| MDL Number | MFCD22493755 |
| Molecular Formula | C19H24BNO2 |
| Molecular Weight | 309.2104 |
| SMILES | CC1(C)OB(OC1(C)C)C2=CC=CC(NCC3=CC=CC=C3)=C2 |
| Synonyms | N-benzyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline,
380151-99-5,
WAGWJZGRZKBLHO-UHFFFAOYSA-N,
AS-55471,
2-[3-(Benzylamino)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,
CID11098910,
|
| 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 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number