3-Aminophenylboronic Acid Pinacol Ester
Product Information
Molecular Formula
C12H18NO2B
Molecular Weight
219.09
Description
3-Aminophenylboronic Acid Pinacol Ester (CAS# 210907-84-9) is a useful research chemical.
Synonyms
3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline; 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
IUPAC Name
3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)N
InChI
InChI=1S/C12H18BNO2/c1-11(2)12(3,4)16-13(15-11)9-6-5-7-10(14)8-9/h5-8H,14H2,1-4H3
InChI Key
YMXIIVIQLHYKOT-UHFFFAOYSA-N
Boiling Point
351.2 °C at 760 mmHg.
Melting Point
90-94 °C (lit.)
Flash Point
Not applicable
Purity
97 %
Density
1.05 g/cm3
Appearance
Solid
LogP
2.14920
Safety Information
Hazards
H315 - H319 - H335
Precautionary Statement
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word
Warning
Computed Properties
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
1
Exact Mass
219.1430590 g/mol
Monoisotopic Mass
219.1430590 g/mol
Topological Polar Surface Area
44.5Ų
Heavy Atom Count
16
Formal Charge
0
Complexity
252
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
Patents
| Publication Number | Title | Priority Date |
|---|---|---|
| CN-113480543-A | 2,6, 8-polysubstituted imidazo [1,2-a ] pyrazine and synthetic method and application thereof | 2021-07-07 |
| CN-112500568-A | Polyimide film and preparation method thereof | 2020-12-24 |
| CN-112500568-B | Polyimide film and preparation method thereof | 2020-12-24 |
| CN-112174958-A | Pyrido [2,3-d ] pyrimidine compound and preparation method and application thereof | 2020-10-29 |
| CN-112174958-B | Pyrido [2,3-d ] pyrimidine compound and preparation method and application thereof | 2020-10-29 |
| WO-2022054057-A1 | Drug conjugates and uses thereof | 2020-09-11 |
| WO-2021263129-A1 | Kinase inhibitor compounds and compositions and methods of use | 2020-06-26 |
| WO-2021262596-A1 | Methods and compounds for restoring mutant p53 function | 2020-06-22 |
| WO-2021262684-A1 | METHODS AND COMPOUNDS FOR RESTORING MUTANT p53 FUNCTION | 2020-06-22 |
| WO-2021257696-A1 | Isoform-specific aldehyde dehydrogenase inhibitors | 2020-06-18 |
