2，2，6，6-Tetramethylpiperidine-N-oxyl-4-amino-4-carboxylic Acid - ≥95% , CAS No.15871-57-5

CAS: 15871-57-5 Cat. No.: T131770 Molecular Weight: 215.27 EC Number: 632-567-0 PubChem CID: 167486

GRADE & PURITY ≥95%

Synonyms

2,2,6,6-Tetramethylpiperidine-1-oxyl-4-amino-4-carboxylic acid | 4-amino-1-hydroxy-2,2,6,6-tetramethylpiperidine-4-carboxylic acid | TOAC; 4-Amino-4-carboxy-2,2,6,6-tetramethylpiperidine-1-oxyl | FT-0675104 | TOAC [MI] | UNII-XDN8H1XM17 | 4-amino-4-carbox

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Overview

TOAC is a nitroxide spin-labeled C α,α-disubstituted glycine derivative that is effective β-turn and 3(10)/α-helix promoter in peptides. It is a very good rigid electron paramagnetic resonance probe and fluorescence quencher.
A novel spin-labeled amino acid derivative for use in peptide synthesis,determination of TOAC-labeled peptide secondary structure by ESR

Specifications

Synonyms

2, 2, 6, 6-Tetramethylpiperidine-1-oxyl-4-amino-4-carboxylic acid | 4-amino-1-hydroxy-2, 2, 6, 6-tetramethylpiperidine-4-carboxylic acid | TOAC; 4-Amino-4-carboxy-2, 2, 6, 6-tetramethylpiperidine-1-oxyl | FT-0675104 | TOAC [MI] | UNII-XDN8H1XM17 | 4-amino-4-carbox

Specifications & Purity

≥95%

Storage

Store at -20°C, Argon charged

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 504757601
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504757601
• Canonical Smiles: CC1(CC(CC(N1[O])(C)C)(C(=O)O)N)C
• InChIKey: FCTFGDVLBOGMPH-UHFFFAOYSA-N
• INCHI: 1S/C10H19N2O3/c1-8(2)5-10(11,7(13)14)6-9(3,4)12(8)15/h5-6,11H2,1-4H3,(H,13,14)
• Isomeric SMILES: CC1(CC(CC(N1[O])(C)C)(C(=O)O)N)C
• WGK Germany: 3
• PubChem CID: 167486
• Molecular Weight: 215.27

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives
            • Level7 Alpha amino acids
              • Level8 L-alpha-amino acids

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives - Alpha amino acids
• Direct Parent: L-alpha-amino acids
• Alternative Parents: D-alpha-amino acids Piperidinecarboxylic acids Aminopiperidines Amino acids Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: L-alpha-amino acid - D-alpha-amino acid - Piperidinecarboxylic acid - 4-aminopiperidine - Piperidine - Amino acid - Carboxylic acid - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Amine - Primary amine - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Primary aliphatic amine - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as l-alpha-amino acids. These are alpha amino acids which have the L-configuration of the alpha-carbon atom.
• External Descriptors: aminoxyls - piperidinemonocarboxylic acid

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Solubility: Soluble in DMSO, 100% ethanol, acetone, and benzene. Insoluble in water.
• Sensitivity: light sensitive
• Melt Point(°C): >230°C
• Molecular Weight: 215.270 g/mol
• XLogP3: -2.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 215.14 Da
• Monoisotopic Mass: 215.14 Da
• Topological Polar Surface Area: 67.600 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 268.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1