2-Aminophenylboronic Acid Hydrochloride
Product Information
Molecular Formula
C6H9ClNO2B
Molecular Weight
173.41
Description
Reactant for: Preparation of small molecules with a trihydroxybenzene motif as pan-selectin antagonists and potential antiinflammatory agents; Preparation of designed boronate ligands for glucose-selective holographic sensors.
Synonyms
(2-aminophenyl)boronic acid;hydrochloride; (2-aminophenyl)boronic acid;hydrochloride
IUPAC Name
(2-aminophenyl)boronic acid;hydrochloride
SMILES
B(C1=CC=CC=C1N)(O)O.Cl
InChI
InChI=1S/C6H8BNO2.ClH/c8-6-4-2-1-3-5(6)7(9)10;/h1-4,9-10H,8H2;1H
InChI Key
WPDASZCYRKGSTO-UHFFFAOYSA-N
Boiling Point
346.9 °C at 760 mmHg
Melting Point
145-156 °C
Flash Point
Not applicable
Purity
≥ 95 %
Appearance
Solid
LogP
0.33180
Safety Information
Hazards
H302
Precautionary Statement
P264, P270, P301+P312, P330, and P501
Signal Word
Warning
Computed Properties
Hydrogen Bond Donor Count
4
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
1
Exact Mass
173.0414864 g/mol
Monoisotopic Mass
173.0414864 g/mol
Topological Polar Surface Area
66.5Ų
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 |
|---|---|---|
| CN-112042680-A | Environment-friendly preservative and preparation method thereof | 2020-09-14 |
| CN-114075227-A | Pyrazole boronic acid compounds, pharmaceutical compositions comprising the same and uses thereof | 2020-08-19 |
| CN-111471036-A | Diamine monomer and preparation method thereof, polyimide and preparation method and application thereof | 2020-05-19 |
| CN-111471036-B | Diamine monomer and preparation method thereof, polyimide and preparation method and application thereof | 2020-05-19 |
| WO-2021072198-A1 | Oral complement factor d inhibitors | 2019-10-09 |
| CN-110452258-B | Preparation method of dipeptide valine boron proline salt | 2019-09-03 |
| WO-2020249821-A1 | Novel arginase inhibitors | 2019-06-14 |
| AU-2020293645-A1 | Novel arginase inhibitors | 2019-06-14 |
| CA-3142859-A1 | Novel arginase inhibitors | 2019-06-14 |
| GB-2583070-A | Viscosification of aqueous solutions | 2019-03-20 |
