| CAS Number | 1259285-57-8 |
| Catalog Number | AG01EHXO |
| Chemical Name | Benzenemethanamine, 4-methoxy-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]- |
| IUPAC Name | N-[(4-methoxyphenyl)methyl]-4-(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)16-8-10-17(11-9-16)22-14-15-6-12-18(23-5)13-7-15/h6-13,22H,14H2,1-5H3 |
| InChI Key | DRUMVUSGZFPTKM-UHFFFAOYSA-N |
| MDL Number | MFCD31916439 |
| Molecular Formula | C20H26BNO3 |
| Molecular Weight | 339.2363 |
| SMILES | CC1(C)OB(OC1(C)C)c1ccc(cc1)NCc1ccc(cc1)OC |
| Synonyms | 1259285-57-8,
AS-55462,
Benzenemethanamine, 4-methoxy-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-,
N-(4-methoxybenzyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenamine,
N-[(4-methoxyphenyl)methyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline,
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| Complexity | 411 |
| 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 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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