3-(Pyrrolidine-1-carbonyl)phenylboronic acid

Inquiry

Molecular Formula:

C11H14BNO3

Molecular Weight:

219.04

CAS Number:

723281-53-6

Catalog Number:

723281-53-6

Product Information

Molecular Formula:

C11H14BNO3

Molecular Weight:

219.04

Description

3-(Pyrrolidine-1-carbonyl)phenylboronic acid, a pivotal compound extensively employed in the biomedical sector, exhibits prodigious potential for disease-focused drug production. Its distinctive molecular structure lends itself to the creation of pioneering boron-based pharmaceuticals, primarily targeting cancerous afflictions and inflammatory anomalies.

Synonyms

[3-(pyrrolidine-1-carbonyl)phenyl]boronic Acid; 3-(Pyrrolidin-1-ylcarbonyl)benzeneboronic acid; (3-pyrrolidinylcarbonylphenyl)boronic acid; 3-pyrrolidinylcarbonyl phenyl boronic acid; 3-(pyrrolidin-1-ylcarbonyl)phenylboronic acid; 3-(1-PYRROLIDINYLCARBONYL)BENZENEBORONIC ACID; 3-(pyrrolidine-1-carbonyl)phenylboronic acid; 3-(Pyrrolidin-1-ylcarbonyl)benzeneboronic acid; 3-(Pyrrolidin-1-ylcarbonyl)benzeneboronic acid; (3-boronophenyl)(pyrrolidin-1-yl)methanone

IUPAC Name

[3-(pyrrolidine-1-carbonyl)phenyl]boronic acid

Canonical SMILES

B(C1=CC(=CC=C1)C(=O)N2CCCC2)(O)O

InChI

InChI=1S/C11H14BNO3/c14-11(13-6-1-2-7-13)9-4-3-5-10(8-9)12(15)16/h3-5,8,15-16H,1-2,6-7H2

InChI Key

SXTMJRKRWYTPLI-UHFFFAOYAB

Flash Point

Not applicable

Purity

98%

Safety Information

Hazards

H318

Precautionary Statement

P280 - P305 + P351 + P338

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

219.1066735 g/mol

Monoisotopic Mass

219.1066735 g/mol

Topological Polar Surface Area

60.8Å²

Heavy Atom Count

Formal Charge

Complexity

254

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-(Pyrrolidine-1-carbonyl)phenylboronic acid

Product Information

Safety Information

Computed Properties

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