| CAS Number | 1454653-68-9 |
| Catalog Number | AG01FFXG(AGN-PC-3H4AHA) |
| Chemical Name | Benzenemethanamine, N-(4-methylphenyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)- |
| IUPAC Name | 4-methyl-N-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]aniline |
| InChI | InChI=1S/C20H26BNO2/c1-15-9-11-18(12-10-15)22-14-16-7-6-8-17(13-16)21-23-19(2,3)20(4,5)24-21/h6-13,22H,14H2,1-5H3 |
| InChI Key | RGBDVKSIDBQKAN-UHFFFAOYSA-N |
| MDL Number | MFCD28166850 |
| Molecular Formula | C20H26BNO2 |
| Molecular Weight | 323.2369 |
| SMILES | CC1(C)C(C)(C)OB(C2=CC(CNC3=CC=C(C)C=C3)=CC=C2)O1 |
| Synonyms | 1454653-68-9,
AS-55480,
4-methyl-N-{[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl}aniline,
Benzenemethanamine, N-(4-methylphenyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-,
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| Complexity | 402 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 323.206g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 323.243g/mol |
| Monoisotopic Mass | 323.206g/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
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Certificate of Analysis
Lot Number