3-Amino-5-methylphenylboronic Acid Pinacol Ester - CAS 1312535-18-4
Catalog: |
BB007276 |
Product Name: |
3-Amino-5-methylphenylboronic Acid Pinacol Ester |
CAS: |
1312535-18-4 |
Synonyms: |
3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline; 3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline |
IUPAC Name: | 3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline |
Description: | 3-Amino-5-methylphenylboronic Acid Pinacol Ester (CAS# 1312535-18-4 ) is a useful research chemical. |
Molecular Weight: | 233.11 |
Molecular Formula: | C13H20NO2B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC(=C2)N)C |
InChI: | InChI=1S/C13H20BNO2/c1-9-6-10(8-11(15)7-9)14-16-12(2,3)13(4,5)17-14/h6-8H,15H2,1-5H3 |
InChI Key: | RCNTYSJFQLDZAI-UHFFFAOYSA-N |
LogP: | 2.45760 |
Publication Number | Title | Priority Date |
EP-3082807-B1 | Thiazole-substituted aminoheteroaryls as spleen tyrosine kinase inhibitors | 20131220 |
US-2016311813-A1 | Thiazole-substituted aminoheteroaryls as spleen tyrosine kinase inhibitors | 20131220 |
US-2016326156-A1 | Thiazole-substituted aminoheteroaryls as spleen tyrosine kinase inhibitors | 20131220 |
US-9670196-B2 | Thiazole-substituted aminoheteroaryls as Spleen Tyrosine Kinase inhibitors | 20131220 |
US-9783531-B2 | Thiazole-substituted aminoheteroaryls as spleen tyrosine kinase inhibitors | 20131220 |
Complexity: | 277 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 233.158709 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 233.158709 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 44.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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