| CAS Number | 1454653-66-7 |
| Catalog Number | AG01FFYS(AGN-PC-3H4AIF) |
| Chemical Name | Benzenemethanamine, N-(4-methoxyphenyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)- |
| IUPAC Name | 4-methoxy-N-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]aniline |
| InChI | InChI=1S/C20H26BNO3/c1-19(2)20(3,4)25-21(24-19)16-8-6-7-15(13-16)14-22-17-9-11-18(23-5)12-10-17/h6-13,22H,14H2,1-5H3 |
| InChI Key | JQDIUHIUXGMSRK-UHFFFAOYSA-N |
| MDL Number | MFCD28166893 |
| Molecular Formula | C20H26BNO3 |
| Molecular Weight | 339.2363 |
| SMILES | COC1=CC=C(C=C1)NCC1=CC(=CC=C1)B1OC(C(O1)(C)C)(C)C |
| Synonyms | 1454653-66-7,
AS-55511,
4-methoxy-N-{[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl}aniline,
Benzenemethanamine, N-(4-methoxyphenyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-,
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| Complexity | 419 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 339.201g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 339.242g/mol |
| Monoisotopic Mass | 339.201g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 39.7A^2 |
| 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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