4-Amino-3-hydroxyphenylboronic Acid Pinacol Ester - CAS 1339927-19-3
Catalog: |
BB007851 |
Product Name: |
4-Amino-3-hydroxyphenylboronic Acid Pinacol Ester |
CAS: |
1339927-19-3 |
Synonyms: |
2-amino-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol; 2-amino-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol |
IUPAC Name: | 2-amino-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol |
Description: | 4-Amino-3-hydroxyphenylboronic Acid Pinacol Ester (CAS# 1339927-19-3 ) is a useful research chemical. |
Molecular Weight: | 235.09 |
Molecular Formula: | C12H18NO3B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C=C2)N)O |
InChI: | InChI=1S/C12H18BNO3/c1-11(2)12(3,4)17-13(16-11)8-5-6-9(14)10(15)7-8/h5-7,15H,14H2,1-4H3 |
InChI Key: | OBFRRDXTOAXUDF-UHFFFAOYSA-N |
LogP: | 1.85480 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
EP-3119763-A1 | Novel 3-indol substituted derivatives, pharmaceutical compositions and methods for use | 20140318 |
US-2015266857-A1 | Novel 3-indol substituted derivatives, pharmaceutical compositions and methods for use | 20140318 |
WO-2015140717-A1 | Novel 3-indol substituted derivatives, pharmaceutical compositions and methods for use | 20140318 |
WO-2015140717-A9 | Novel 3-indol substituted derivatives, pharmaceutical compositions and methods for use | 20140318 |
JP-2015533181-A | Pyrrolotriazinone derivatives as PI3K inhibitors | 20121016 |
Complexity: | 280 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 235.1379736 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 235.1379736 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 64.7 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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