| CAS Number | 1609393-90-9 |
| Catalog Number | AG00AT13(AGN-PC-0WR185) |
| Chemical Name | 2-methoxy-3-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenylamine |
| IUPAC Name | 2-methoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline |
| InChI | InChI=1S/C13H20BNO3/c1-12(2)13(3,4)18-14(17-12)9-7-6-8-10(15)11(9)16-5/h6-8H,15H2,1-5H3 |
| InChI Key | GTJCHAXQNVESRW-UHFFFAOYSA-N |
| MDL Number | MFCD27936703 |
| Molecular Formula | C13H20BNO3 |
| Molecular Weight | 249.1138 |
| SMILES | O(C)c1c(cccc1N)B1OC(C(O1)(C)C)(C)C |
| Synonyms | 1609393-90-9,
2-Methoxy-3-(tetramethyl-1,3,2-dioxaborolan-2-yl)aniline,
2-methoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline,
SCHEMBL14709323,
GTJCHAXQNVESRW-UHFFFAOYSA-N,
2-Methoxy-3-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenylamine,
ZINC170007949,
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| Complexity | 293 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 249.154g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 249.117g/mol |
| Monoisotopic Mass | 249.154g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 53.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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