3-Acrylamidophenylboronic Acid Pinacol Ester

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Molecular Formula:

C15H20NO3B

Molecular Weight:

273.14

CAS Number:

874363-18-5

Catalog Number:

874363-18-5

Product Information

Molecular Formula:

C15H20NO3B

Molecular Weight:

273.14

Description

3-Acrylamidophenylboronic Acid Pinacol Ester (CAS# 874363-18-5) is a useful research chemical.

Synonyms

N-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-propenamide; N-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]prop-2-enamide

IUPAC Name

N-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]prop-2-enamide

Canonical SMILES

B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)NC(=O)C=C

InChI

InChI=1S/C15H20BNO3/c1-6-13(18)17-12-9-7-8-11(10-12)16-19-14(2,3)15(4,5)20-16/h6-10H,1H2,2-5H3,(H,17,18)

InChI Key

WKGCJEIDCOQEPG-UHFFFAOYSA-N

Boiling Point

437.4±37.0 °C (Predicted)

Melting Point

160 °C

Purity

> 98.0 % (GC)

Density

1.07±0.1 g/cm³(Predicted)

Appearance

White to light yellow powder to crystal

LogP

2.18330

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

273.1536237 g/mol

Monoisotopic Mass

273.1536237 g/mol

Topological Polar Surface Area

47.6Å²

Heavy Atom Count

Formal Charge

Complexity

379

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-Acrylamidophenylboronic Acid Pinacol Ester

Product Information

Computed Properties

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