4-CARBOXY-2,2,6,6-TETRAMETHYLPIPERIDINE 1-OXYL

Inquiry

Molecular Formula:

C10H18NO3 *

Molecular Weight:

200.25

CAS Number:

37149-18-1

Catalog Number:

37149-18-1

Product Information

Molecular Formula:

C10H18NO3 *

Molecular Weight:

200.25

Description

4-carboxy-TEMPO is a member of the class of aminoxyls that is TEMPO carrying a carboxy group at position 4. It has a role as a radical scavenger, a MRI contrast agent and a spin label. It is a member of aminoxyls and a piperidinemonocarboxylic acid. It is functionally related to a TEMPO.

Synonyms

4-Carboxy-TEMPO

Canonical SMILES

CC1(CC(CC(N1[O])(C)C)C(=O)O)C

InChI

InChI=1S/C10H18NO3/c1-9(2)5-7(8(12)13)6-10(3,4)11(9)14/h7H,5-6H2,1-4H3,(H,12,13)

InChI Key

CYQGCJQJIOARKD-UHFFFAOYSA-N

Melting Point

178 °C

Purity

>97.0%(GC)(T)

Appearance

Peach to orange powder, crystals or fibers

Storage

Store under inert gas

Safety Information

Hazards

H315 H319

Precautionary Statement

P264 P280 P302 + P352 P337 + P313 P305 + P351 + P338 P362+P364 P332 + P313

Signal Word

Warning

Computed Properties

XLogP3

-1.3

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

200.12866844 g/mol

Monoisotopic Mass

200.12866844 g/mol

Topological Polar Surface Area

41.5Å²

Heavy Atom Count

Formal Charge

Complexity

230

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

Patents

Publication Number	Title	Priority Date
US-2011019265-A1	Display element and method of forming porous layer in display element	2008-07-24
US-2009156728-A1	Modified butyl rubber composition	2007-12-13
US-2009093587-A1	Modified butyl rubber composition	2007-10-01
US-7700695-B2	Modified butyl rubber composition	2007-10-01
US-2008262147-A1	Modified butyl rubber composition	2007-04-19
US-2010056723-A1	Thermoplastic elastomer composition	2006-12-13
US-2009292044-A1	Modified diene-based rubber and rubber composition containing the same	2006-07-07
US-2012029021-A1	Nitroxide Free Radical Synergized Antineoplastic Agents	2006-03-10
US-2007093607-A1	Modified butyl rubber composition	2005-10-21
US-7589155-B2	Modified butyl rubber composition	2005-10-21

Literatures

PMID	Publication Date	Title	Journal
34085520	2021-06-21	Polyamine-Conjugated Nitroxides Are Efficacious Inhibitors of Oxidative Reactions Catalyzed by Endothelial-Localized Myeloperoxidase	Chemical research in toxicology
15336310	2004-10-01	The impact of carboxy nitroxide antioxidants on irradiated ataxia telangiectasia cells	Free radical biology & medicine

The molarity calculator equation

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

Mass

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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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