3-(1-pyrrolidinylmethyl)phenylboronic acid

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Molecular Formula:

C11H16BNO2

Molecular Weight:

205.06

Product Information

Molecular Formula:

C11H16BNO2

Molecular Weight:

205.06

Description

3-(1-Pyrrolidinylmethyl)phenylboronic acid is a very important boronic acid derivative that is widely used in the drug research and development of cancer and antibacterial agents.

Synonyms

(3-(Pyrrolidin-1-ylmethyl)phenyl)boronic acid; 3-(Pyrrolidin-1-ylmethyl)phenylboronic acid; [3-(pyrrolidin-1-ylmethyl)phenyl]boronic acid; [3-(pyrrolidin-1-ylmethyl)phenyl]boronic acid hydrochloride propan-2-ol; (3-(Pyrrolidin-1-ylmethyl)phenyl)boronicacid; {3-[(pyrrolidin-1-yl)methyl]phenyl}boronic acid; A894951; 3-(1-pyrrolidinylmethyl)phenylboronic acid

IUPAC Name

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

Canonical SMILES

B(C1=CC(=CC=C1)CN2CCCC2)(O)O

InChI

InChI=1S/C11H16BNO2/c14-12(15)11-5-3-4-10(8-11)9-13-6-1-2-7-13/h3-5,8,14-15H,1-2,6-7,9H2

InChI Key

JRGCMBMTOLSYTF-UHFFFAOYSA-N

Flash Point

Not applicable

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

205.1274089 g/mol

Monoisotopic Mass

205.1274089 g/mol

Topological Polar Surface Area

43.7Å²

Heavy Atom Count

Formal Charge

Complexity

195

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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Concentration _(final)

Volume _(final)

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3-(1-pyrrolidinylmethyl)phenylboronic acid

Product Information

Computed Properties

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