2-Aminophenylboronic Acid Hydrochloride

Inquiry

Molecular Formula:

C6H9ClNO2B

Molecular Weight:

173.41

CAS Number:

863753-30-4

Catalog Number:

863753-30-4

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

Canonical 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

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

173.0414864 g/mol

Monoisotopic Mass

173.0414864 g/mol

Topological Polar Surface Area

66.5Å²

Heavy Atom Count

Formal Charge

Complexity

110

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

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

The molarity calculator equation

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

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The dilution calculator equation

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This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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