4-(Diethylamino)phenylboronic acid

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Molecular Formula:

C10H16BNO2

Molecular Weight:

193.05

Product Information

Molecular Formula:

C10H16BNO2

Molecular Weight:

193.05

Description

Useful cross-coupling partner in palladium-catalyzed carbon-carbon bond formation (Suzuki Reaction).

Synonyms

[4-(diethylamino)phenyl]boronic acid; (4-(diethylamino)phenyl)boronic acid; 4-diethylaminophenylboronic acid; 4-(DIETHYLAMINO)PHENYLBORONICACID; 4-(Diethylamino)phenylboronic acid, 95.0%; 4-(Diethylamino)phenylboronic acid; [4-(diethylamino)phenyl]boronic acid

IUPAC Name

[4-(diethylamino)phenyl]boronic acid

Canonical SMILES

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

InChI

InChI=1S/C10H16BNO2/c1-3-12(4-2)10-7-5-9(6-8-10)11(13)14/h5-8,13-14H,3-4H2,1-2H3

InChI Key

JEVVHTYCMAMSJL-UHFFFAOYSA-N

Melting Point

211-236 °C

Flash Point

Not applicable

Purity

95.0%

Safety Information

Hazards

H315 - H319

Precautionary Statement

P302 + P352 - P305 + P351 + P338

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

193.1274089 g/mol

Monoisotopic Mass

193.1274089 g/mol

Topological Polar Surface Area

43.7Å²

Heavy Atom Count

Formal Charge

Complexity

154

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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4-(Diethylamino)phenylboronic acid

Product Information

Safety Information

Computed Properties

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