4-(2-morpholinoethylcarbamoyl)phenylboronic acid

Inquiry

Molecular Formula:

C13H19BN2O4

Molecular Weight:

278.11

Product Information

Molecular Formula:

C13H19BN2O4

Molecular Weight:

278.11

Description

4-(2-morpholinoethylcarbamoyl)phenylboronic acid is a strong contender for anti-tumor drug exploration by selectively blocking the catalytic activity of key enzymes related to malignant cell proliferation.

Synonyms

4-[(2-Morpholin-4-ylethyl)carbamoyl]benzeneboronic acid; [4-(2-morpholin-4-ylethylcarbamoyl)phenyl]boronic acid; (4-((2-Morpholinoethyl)carbamoyl)-phenyl)boronic acid; (4-((2-Morpholinoethyl)carbamoyl)phenyl)boronicacid; 4-(2-morpholmoethylcarbamoyl)phenylboronic acid; (4-{[2-(Morpholin-4-yl)ethyl]carbamoyl}phenyl)boronic acid; 4-(2-morpholinoethylcarbamoyl)phenylboronic acid; Boronicacid,b-[4-[[[2-(4-morpholinyl)ethyl]amino]carbonyl]phenyl]-

IUPAC Name

[4-(2-morpholin-4-ylethylcarbamoyl)phenyl]boronic acid

Canonical SMILES

B(C1=CC=C(C=C1)C(=O)NCCN2CCOCC2)(O)O

InChI

InChI=1S/C13H19BN2O4/c17-13(11-1-3-12(4-2-11)14(18)19)15-5-6-16-7-9-20-10-8-16/h1-4,18-19H,5-10H2,(H,15,17)

InChI Key

SFJAUBYTKBOMQG-UHFFFAOYSA-N

Flash Point

Not applicable

Safety Information

Hazards

H318

Precautionary Statement

P280 - P305 + P351 + P338

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

278.1437873 g/mol

Monoisotopic Mass

278.1437873 g/mol

Topological Polar Surface Area

82Å²

Heavy Atom Count

Formal Charge

Complexity

303

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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4-(2-morpholinoethylcarbamoyl)phenylboronic acid

Product Information

Safety Information

Computed Properties

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