3-Aminobenzeneboronic acid

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Product Information

Molecular Formula:
C6H8BNO2
Molecular Weight:
136.9450
Description
3-Aminophenylboronic acid hemisulfate salt is used in the synthesis of:• Phenylboronic acid-functionalized inverse opal hydrogels within microfluidic flow cells for glucose sensing.• Phenylboronic acid-salicylhydroxamic acid-derived complexing reagent for protein immobilization on chromatographic support.It can also be used in the preparation of phenylboronic acid (PBA) monolayer-modified Au electrode for the voltammetric sensing of uridine and cytidine.
Synonyms
3-Aminobenzeneboronic acid
IUPAC Name
(3-aminophenyl)boronic acid;sulfuric acid
Canonical SMILES
B(C1=CC(=CC=C1)N)(O)O.B(C1=CC(=CC=C1)N)(O)O.OS(=O)(=O)O
InChI
InChI=1S/2C6H8BNO2.H2O4S/c2*8-6-3-1-2-5(4-6)7(9)10;1-5(2,3)4/h2*1-4,9-10H,8H2;(H2,1,2,3,4)
InChI Key
UKTAURVTSWDIQR-UHFFFAOYSA-N
Boiling Point
376°C at 760 mmHg
Melting Point
300°C
Flash Point
Not applicable
Purity
95%
Density
1.23g/cm3
Appearance
off-white crystalline powder
Storage
0-6°C

Safety Information

Hazards
H315 - H319
Precautionary Statement
P302 + P352 - P305 + P351 + P338

Computed Properties

Hydrogen Bond Donor Count
8
Hydrogen Bond Acceptor Count
10
Rotatable Bond Count
2
Exact Mass
372.0969970 g/mol
Monoisotopic Mass
372.0969970 g/mol
Topological Polar Surface Area
216Ų
Heavy Atom Count
25
Formal Charge
0
Complexity
191
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
3
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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