4-Isothiocyanato-2,2,6,6-tetramethylpiperidine 1-oxyl - ≥97%(GC)(T) , CAS No.36410-81-8

CAS: 36410-81-8 Cat. No.: I140407 Peso molecular: 213.32 Beilstein Registry Number: 4421977 Número EC: 634-859-3

GRADE & PURITY ≥97%(GC)(T)

Synonyms

4-Isothiocyanato-2,2,6,6-tetramethylpiperidine 1-oxyl | 4-Isothiocyanato-2,2,6,6-tetramethylpiperidine 1-Oxyl Free Radical | 4-Itc-tempo | MFCD00010109 | 1-Piperidinyloxy, 4-isothiocyanato-2,2,6,6-tetramethyl- | 4-ISOTHIOCYANATO-2,2,6,6-TETRAMETHYLPIPERID

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Descripción general

For use in the synthesis of spin-labeled derivatives

Specifications

Sinónimos

4-Isothiocyanato-2, 2, 6, 6-tetramethylpiperidine 1-oxyl | 4-Isothiocyanato-2, 2, 6, 6-tetramethylpiperidine 1-Oxyl Free Radical | 4-Itc-tempo | MFCD00010109 | 1-Piperidinyloxy, 4-isothiocyanato-2, 2, 6, 6-tetramethyl- | 4-ISOTHIOCYANATO-2, 2, 6, 6-TETRAMETHYLPIPERID

Especificaciones y pureza

≥97%(GC)(T)

Condiciones de almacenamiento de almacenamiento

Store at -20°C, Argon charged

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥97%(GC)(T)

Nombres e identificadores

• Sonrisas canónicas: CC1(CC(CC(N1[O])(C)C)N=C=S)C
• InChIKey: BKENZAFIBRCMKD-UHFFFAOYSA-N
• INCHI: 1S/C10H17N2OS/c1-9(2)5-8(11-7-14)6-10(3,4)12(9)13/h8H,5-6H2,1-4H3
• Isómeros SMILES: CC1(CC(CC(N1[O])(C)C)N=C=S)C
• WGK Alemania: 3
• Peso molecular: 213.32
• Beilstein: 4421977
• Reaxy-Rn: 26160173
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=26160173&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Piperidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Piperidines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Piperidines
• Alternative Parents: Isothiocyanates Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Piperidine - Isothiocyanate - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Aliphatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as piperidines. These are compounds containing a piperidine ring, which is a saturated aliphatic six-member ring with one nitrogen atom and five carbon atoms.
• 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

• Sensibilidad: Moisture & air & heat sensitive
• Punto de fusión (°C): 126.0-130.0°C
• Peso molecular: 213.320 g/mol
• XLogP3: 2.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 213.106 Da
• Monoisotopic Mass: 213.106 Da
• Topological Polar Surface Area: 48.700 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 251.000
• 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