Phenylboronic acid N-butyldiethanolamine ester

Inquiry

Molecular Formula:

C14H22BNO2

Molecular Weight:

247.14

CAS Number:

84549-45-1

Catalog Number:

84549-45-1

Product Information

Molecular Formula:

C14H22BNO2

Molecular Weight:

247.14

Description

Phenylboronic acid N-butyldiethanolamine ester is a highly versatile compound used in the biomedicine industry. This product is commonly employed as a reactant for the synthesis of various drugs targeted for the treatment of diseases such as cancer, diabetes, and arthritis. With its unique chemical properties, it serves as a valuable tool in pharmaceutical research for developing innovative therapeutic solutions.

Synonyms

6-Butyl-2-phenyl-1,3,6,2-dioxazaborocane

IUPAC Name

6-butyl-2-phenyl-1,3,6,2-dioxazaborocane

Canonical SMILES

B1(OCCN(CCO1)CCCC)C2=CC=CC=C2

InChI

InChI=1S/C14H22BNO2/c1-2-3-9-16-10-12-17-15(18-13-11-16)14-7-5-4-6-8-14/h4-8H,2-3,9-13H2,1H3

InChI Key

XBJLGTGASXIEFZ-UHFFFAOYSA-N

Melting Point

126-130 °C

Purity

97%

Safety Information

Hazards

H302

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

247.1743591 g/mol

Monoisotopic Mass

247.1743591 g/mol

Topological Polar Surface Area

21.7Å²

Heavy Atom Count

Formal Charge

Complexity

212

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

Literatures

PMID	Publication Date	Title	Journal
3821	1975-09-01	[Automatic method for determination of serum antistreptolysin]	Quaderni Sclavo di diagnostica clinica e di laboratorio

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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