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4-(Aminomethyl)phenylboronic acid pinacol ester hydrochloride

4-(Aminomethyl)phenylboronic acid pinacol ester hydrochloride

Inquiry

Molecular Formula:

C13H21BClNO2

Molecular Weight:

269.58

CAS Number:

850568-55-7

Catalog Number:

850568-55-7

Product Information

Molecular Formula:

C13H21BClNO2

Molecular Weight:

269.58

Description

4-(Aminomethyl)phenylboronic acid pinacol ester hydrochloride is a multifaceted biomedical compound that exhibits immense potential in ameliorating diverse ailments. Serving as a crucial reagent in organic synthesis and pharmaceutical investigation, it has garnered attention for its remarkable versatility. By precisely targeting potential pharmacological agents and formulating optimized drug delivery systems, this compound emerges as a valuable asset in the pursuit of novel therapies for cancer, diabetes, and autoimmune disorders.

Synonyms

(4-AMINOMETHYLPHENYL)BORONIC ACID PINACOL ESTER HYDROCHLORIDE; 4-AMINOMETHYLPHENYLBORONIC ACID, PINACOL ESTER, HCL; (4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)methanamine, HCl

IUPAC Name

[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanaminehydrochloride

Canonical SMILES

B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)CN.Cl

InChI

InChI=1S/C13H20BNO2.ClH/c1-12(2)13(3,4)17-14(16-12)11-7-5-10(9-15)6-8-11/h5-8H,9,15H2,1-4H31H

InChI Key

KPECMJIHZZWTJN-UHFFFAOYSA-N

Melting Point

254.1-262.7 °C

Flash Point

Not applicable

Purity

95%

Storage

2-8°C

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

269.1353868 g/mol

Monoisotopic Mass

269.1353868 g/mol

Topological Polar Surface Area

44.5Å²

Heavy Atom Count

Formal Charge

Complexity

257

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

Patents

Publication Number	Title	Priority Date
US-2013079328-A1	Compositions and methods for modulating the wnt signaling pathway	2010-06-29
US-9181235-B2	Substituted pyridines for modulating the WNT signaling pathway	2010-06-29
US-2012208819-A1	Heterocyclic compounds useful as pdk1 inhibitors	2009-10-06

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The dilution calculator equation

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This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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4-(Aminomethyl)phenylboronic acid pinacol ester hydrochloride

Product Information

Computed Properties

Patents

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