4-Hydroxy-2,2,6,6-tetramethylpiperidine 1-Oxyl Benzoate Free Radical - ≥97%(GC) , CAS No.3225-26-1

CAS: 3225-26-1 Cat. No.: H157124 Peso molecular: 276.36 Beilstein Registry Number: 1431260 Número EC: 807-702-3

GRADE & PURITY ≥97%(GC)

Synonyms

4-benzoyloxy-2,2,6,6-tetramethylpiperidine-1-oxyl | 4-Hydroxy-TEMPO benzoate, free radical, 97% | 4-Hydroxy-TEMPO-benzoat | SR-01000209976 | 4-Benzoyloxy-2,2,6,6-tetramethylpiperidinyloxyl | 4-Benzoyloxy-2,2,6,6-tetramethylpiperidine 1-Oxyl | 4-Hydroxy-TE

Storage

Room temperature

Shipped In

Normal

Descripción general

4-Hydroxy-TEMPO benzoate is a 4-substituted 2,2,6,6-tetramethylpiperidyl-1-oxy (TEMPO) derivative.

Specifications

Sinónimos

4-benzoyloxy-2, 2, 6, 6-tetramethylpiperidine-1-oxyl | 4-Hydroxy-TEMPO benzoate, free radical, 97% | 4-Hydroxy-TEMPO-benzoat | SR-01000209976 | 4-Benzoyloxy-2, 2, 6, 6-tetramethylpiperidinyloxyl | 4-Benzoyloxy-2, 2, 6, 6-tetramethylpiperidine 1-Oxyl | 4-Hydroxy-TE

Especificaciones y pureza

≥97%(GC)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%(GC)

Nombres e identificadores

• Sonrisas canónicas: CC1(CC(CC(N1[O])(C)C)OC(=O)C2=CC=CC=C2)C
• InChIKey: MJEDTBDGYVATPI-UHFFFAOYSA-N
• 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
• Isómeros SMILES: CC1(CC(CC(N1[O])(C)C)OC(=O)C2=CC=CC=C2)C
• WGK Alemania: 3
• Peso molecular: 276.36
• Beilstein: 1431260
• Reaxy-Rn: 13834921
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=13834921&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzoic acid esters
• Alternative Parents: Benzoyl derivatives Piperidines Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Benzoate ester - Benzoyl - Piperidine - Carboxylic acid ester - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Hydrocarbon derivative - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid.
• External Descriptors: Not available

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

Propiedades químicas y físicas

• Punto de fusión (°C): 99-101 °C
• Peso molecular: 276.350 g/mol
• XLogP3: 3.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 276.16 Da
• Monoisotopic Mass: 276.16 Da
• Topological Polar Surface Area: 30.500 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 341.000
• 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