3-Aminophenylboronic Acid Monohydrate

Product Information

Molecular Formula:
C6H10NO3B
Molecular Weight:
154.96
Description
Reagent used for: Suzuki-Miyaura cross-coupling. Reagent used for Preparation of; Gram-positive antivirulence drugs and inhibitors of Streptococcus agalactiae Stk1; Regioisomer of Zaleplon (a sedative); Amphiphilic random glycopolymer, which self-assemble to form nanoparticles, with potential as a glucose-sensitive matrix ; Chemomechanical polymer that expands and contracts in blood plasma with high glucose selectivity.
Synonyms
(3-aminophenyl)boronic acid;hydrate; (3-aminophenyl)boronic acid;hydrate
IUPAC Name
(3-aminophenyl)boronic acid;hydrate
Canonical SMILES
B(C1=CC(=CC=C1)N)(O)O.O
InChI
InChI=1S/C6H8BNO2.H2O/c8-6-3-1-2-5(4-6)7(9)10;/h1-4,9-10H,8H2;1H2
InChI Key
XAEOVQODHLLNKX-UHFFFAOYSA-N
Boiling Point
376 °C at 760 mmHg
Melting Point
93-96 °C (lit.)
Flash Point
Not applicable
Purity
98 %
Density
1.23 g/cm3
LogP
-0.53450

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
4
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
1
Exact Mass
155.0753733 g/mol
Monoisotopic Mass
155.0753733 g/mol
Topological Polar Surface Area
67.5Ų
Heavy Atom Count
11
Formal Charge
0
Complexity
110
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
2
Compound Is Canonicalized
Yes

Patents

Publication Number Title Priority Date
WO-2022053718-A1 Method for labeling nucleic acid 2020-09-14
WO-2021243421-A1 Dual kinase-bromodomain inhibitors 2020-06-05
WO-2021166900-A1 Organic electroluminescent element, organic el display device, and organic el lighting 2020-02-20
TW-202136369-A Organic electroluminescence element, organic EL display device and organic EL lighting 2020-02-20
WO-2021145429-A1 Compound, material for organic electroluminescent elements, organic electroluminescent element, and electronic device 2020-01-15
WO-2021123229-A1 Synthesis of lactone derivatives and their use in the modification of proteins 2019-12-20
WO-2021126989-A1 Two-way magnetic resonance tuning nanoprobe enhanced subtraction imaging 2019-12-17
WO-2021125011-A1 Polymer, composition for organic electroluminescent element, composition for forming hole transport layer or hole injection layer, organic electroluminescent element, organic el display device, and organic el illuminator 2019-12-16
TW-202132409-A Polymer, composition for organic electroluminescence element, composition for forming hole transport layer or hole injection layer, organic electroluminescence element and its manufacturing method, organic EL display device and organic EL illumination 2019-12-16
CN-110105260-B Aromatic ring ureido indole derivative and preparation method and application thereof 2019-06-11
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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