3-Aminobenzeneboronic Acid

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Molecular Formula:

C6H8NO2B

Molecular Weight:

136.94

CAS Number:

30418-59-8

Catalog Number:

30418-59-8

Product Information

Molecular Formula:

C6H8NO2B

Molecular Weight:

136.94

Description

3-Aminophenylboronic acid (3-APBA) can undergo three-component condensation with 3,5-disubstituted salicylaldehyde derivatives and aliphatic alcohols to afford calix-shaped boron complexes. Due to its ability to selectively bind with diol-compounds, 3-APBA can be employed in developing sensors for detecting saccharides and glycosylated biomolecules by immobilizing on a metal substrate via a self-assembled monolayer. This product was previously listed as CDS003827.

Synonyms

(3-aminophenyl)boronic acid; (3-aminophenyl)boronic acid

IUPAC Name

(3-aminophenyl)boronic acid

Canonical SMILES

B(C1=CC(=CC=C1)N)(O)O

InChI

InChI=1S/C6H8BNO2/c8-6-3-1-2-5(4-6)7(9)10/h1-4,9-10H,8H2

InChI Key

JMZFEHDNIAQMNB-UHFFFAOYSA-N

Boiling Point

376 °C at 760 mmHg

Melting Point

225 °C

Flash Point

Not applicable

Density

1.23 g/cm³

LogP

-0.47020

Safety Information

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

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

137.0648087 g/mol

Monoisotopic Mass

137.0648087 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

The molarity calculator equation

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

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The dilution calculator equation

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

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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3-Aminobenzeneboronic Acid

Product Information

Safety Information

Computed Properties

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