4-Benzoyloxy-2,2,6,6-tetramethylpiperidine 1-Oxyl

Product Information

Molecular Formula:
C17H24NO2*
Molecular Weight:
276.35
Description
4-hydroxy-TEMPO benzoate is a member of the class of piperidines that is TEMPO carrying a benzoyloxy group at position 4. It has a role as a radical scavenger and a spin probe. It is a member of aminoxyls, a member of piperidines and a benzoate ester. It is functionally related to a 4-hydroxy-TEMPO.
Synonyms
4-Hydroxy-TEMPO Benzoate Free Radical,4-Benzoyloxy-2,2,6,6-tetramethylpiperidine 1-Oxyl Free Radical,4-Benzoyloxy-TEMPO Free Radical
Canonical SMILES
CC1(CC(CC(N1[O])(C)C)OC(=O)C2=CC=CC=C2)C
InChI
InChI=1S/C16H22NO3/c1-15(2)10-13(11-16(3,4)17(15)19)20-14(18)12-8-6-5-7-9-12/h5-9,13H,10-11H2,1-4H3
InChI Key
MJEDTBDGYVATPI-UHFFFAOYSA-N
Melting Point
104 °C
Purity
>97.0%
Appearance
Light yellow to Brown powder to crystal

Computed Properties

XLogP3
3.1
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
3
Exact Mass
276.15996856 g/mol
Monoisotopic Mass
276.15996856 g/mol
Topological Polar Surface Area
30.5Ų
Heavy Atom Count
20
Formal Charge
0
Complexity
341
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

Patents

Publication Number Title Priority Date
US-2011111258-A1 Radiation-curable vinyl chloride copolymer, radiation-curable composition, and magnetic recording medium 2009-11-12
US-2011027620-A1 Radiation-curable polyurethane resin composition and magnetic recording medium using the same 2009-07-31
US-2009093601-A1 Photochromic Compounds Comprising Polymeric Substituents And Methods For Preparation And Use Thereof 2004-09-02
US-2007187656-A1 Photochromic compositions and articles comprising siloxane, alkylene or substituted alkylene oligomers 2004-04-30
US-2003198801-A1 Ink-jet media porous coatings with chemically attached active ligands 2002-04-10
US-6433100-B1 Process for the preparation of polymers containing N-O terminal groups 1998-09-29
US-6348598-B1 N-oxyl compounds, process for the preparation thereof, and process for inhibiting the polymerization of vinyl monomers with the same 1997-11-12
US-2002002313-A1 Process for preparation of hydroperoxides 1997-07-09
US-6291718-B1 Process for preparing hydroperoxides 1997-07-09
US-6476276-B2 Process for preparation of hydroperoxides 1997-07-09
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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