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

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
0
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
3
Exact Mass
259.1339066 g/mol
Monoisotopic Mass
259.1339066 g/mol
Topological Polar Surface Area
29.5Ų
Heavy Atom Count
17
Formal Charge
0
Complexity
318
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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