| CAS Number | 1259285-56-7 |
| Catalog Number | AG01FQ0Z(AGN-PC-3H5P7I) |
| Chemical Name | N-(4-methoxybenzyl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline |
| IUPAC Name | N-[(4-methoxyphenyl)methyl]-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline |
| InChI | InChI=1S/C20H26BNO3/c1-19(2)20(3,4)25-21(24-19)17-8-6-7-9-18(17)22-14-15-10-12-16(23-5)13-11-15/h6-13,22H,14H2,1-5H3 |
| InChI Key | QRMARVFNTGTBNR-UHFFFAOYSA-N |
| MDL Number | MFCD22572111 |
| Molecular Formula | C20H26BNO3 |
| Molecular Weight | 339.2363 |
| SMILES | COC1=CC=C(CNC2=C(C=CC=C2)B2OC(C(O2)(C)C)(C)C)C=C1 |
| Synonyms | AS-73134,
N-(4-methoxybenzyl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenamine,
N-[(4-methoxyphenyl)methyl]-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline,
1259285-56-7,
|
| Complexity | 419 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 339.200574g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 339.2g/mol |
| Monoisotopic Mass | 339.200574g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 39.7Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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