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N-Chloro-2,2,6,6-tetramethyl-4-piperidyl methacrylate

N-Chloro-2,2,6,6-tetramethyl-4-piperidyl methacrylate

Inquiry

Molecular Formula:

C13H22ClNO2

Molecular Weight:

259.77

CAS Number:

1126272-77-2

Catalog Number:

1126272-77-2

Product Information

Molecular Formula:

C13H22ClNO2

Molecular Weight:

259.77

Description

Applications: A new N-halamine monomer was synthesized and used to prepare water-based polymeric N-halamines by emulsion polymn. Also, the compound was tested for antibacterial activity against Candida albicans, Staphylococcus aureus, and Escherichia coli.

Synonyms

1-Chloro-2,2,6,6-tetramethyl-4-piperidinyl 2-Propenoic Acid

IUPAC Name

(1-chloro-2,2,6,6-tetramethylpiperidin-4-yl) 2-methylprop-2-enoate

Canonical SMILES

CC(=C)C(=O)OC1CC(N(C(C1)(C)C)Cl)(C)C

InChI

InChI=1S/C13H22ClNO2/c1-9(2)11(16)17-10-7-12(3,4)15(14)13(5,6)8-10/h10H,1,7-8H2,2-6H3

InChI Key

HEVKFRBDENHXII-UHFFFAOYSA-N

Purity

95%

Appearance

Light Yellow Liquid

Application

A new N-halamine monomer

Storage

Amber Vial, -20°C Freezer, Under Inert Atmosphere

Safety Information

Hazards

H315:
Causes skin irritation.
H319:
Causes serious eye irritation.

Precautionary Statement

P280:
Wear protective gloves/protective clothing/eye protection/face protection.
P305:
IF IN EYES:
P338:
Remove contact lenses if present and easy to do. Continue rinsing.
P351:
Rinse cautiously with water for several minutes.

Computed Properties

XLogP3

3.2

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

259.1339066 g/mol

Monoisotopic Mass

259.1339066 g/mol

Topological Polar Surface Area

29.5Å²

Heavy Atom Count

Formal Charge

Complexity

318

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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N-Chloro-2,2,6,6-tetramethyl-4-piperidyl methacrylate

Product Information

Safety Information

Computed Properties

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