1-(3-Methylbutyl)-1H-pyrazole-4-boronic acid

Inquiry

Molecular Formula:

C8H15BN2O2

Molecular Weight:

182.03

CAS Number:

847818-58-0

Catalog Number:

847818-58-0

Product Information

Molecular Formula:

C8H15BN2O2

Molecular Weight:

182.03

Description

1-(3-Methylbutyl)-1H-pyrazole-4-boronic acid is an organic intermediate molecule that can be used in tumor therapy research.

Synonyms

1-(3-METHYLBUTYL)-1H-PYRAZOLE-4-BORONIC ACID; Bm524

IUPAC Name

[1-(3-methylbutyl)pyrazol-4-yl]boronic acid

Canonical SMILES

B(C1=CN(N=C1)CCC(C)C)(O)O

InChI

InChI=1S/C8H15BN2O2/c1-7(2)3-4-11-6-8(5-10-11)9(12)13/h5-7,12-13H,3-4H2,1-2H3

InChI Key

RFMLXEBQNNMUHX-UHFFFAOYSA-N

Boiling Point

342.1°C at 760 mmHg

Flash Point

Not applicable

Purity

96%

Density

1.09g/cm3

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

182.1226579 g/mol

Monoisotopic Mass

182.1226579 g/mol

Topological Polar Surface Area

58.3Å²

Heavy Atom Count

Formal Charge

Complexity

155

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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1-(3-Methylbutyl)-1H-pyrazole-4-boronic acid

Product Information

Computed Properties

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