3-(1-Pyrrolidinoethyl)phenylboronic acid

Inquiry

Molecular Formula:

C12H18BNO2

Molecular Weight:

219.1

CAS Number:

1256355-44-8

Catalog Number:

1256355-44-8

Product Information

Molecular Formula:

C12H18BNO2

Molecular Weight:

219.1

Description

3-(1-Pyrrolidinoethyl)phenylboronic acid is a compound of great significance in the biomedical sector and presents itself as a versatile pharmaceutical intermediate for the synthesis of diverse therapeutic agents. Additionally, its application stretches to encompass investigational inquiries dedicated to the amelioration of specific maladies.

Synonyms

[3-(1-pyrrolidin-1-ylethyl)phenyl]boronicacid; 3-(1-Pyrrolidinoethyl)phenylboronicacid; 1256355-44-8; ACMC-209ayy; Ambcb4015550; SCHEMBL15332985

IUPAC Name

[3-(1-pyrrolidin-1-ylethyl)phenyl]boronic acid

Canonical SMILES

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

InChI

InChI=1S/C12H18BNO2/c1-10(14-7-2-3-8-14)11-5-4-6-12(9-11)13(15)16/h4-6,9-10,15-16H,2-3,7-8H2,1H3

InChI Key

OSQBDXBDCHOEAV-UHFFFAOYSA-N

Flash Point

Not applicable

Purity

95%

Safety Information

Hazards

H319

Precautionary Statement

P305 + P351 + P338

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

219.1430590 g/mol

Monoisotopic Mass

219.1430590 g/mol

Topological Polar Surface Area

43.7Å²

Heavy Atom Count

Formal Charge

Complexity

219

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-(1-Pyrrolidinoethyl)phenylboronic acid

Product Information

Safety Information

Computed Properties

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