1,2,2,6,6-Pentamethyl-4-piperidone - ≥98% , CAS No.5554-54-1

CAS: 5554-54-1 Cat. No.: P400282 Peso molecular: 169.26 Número EC: 628-282-6 PubChem CID: 241955

GRADE & PURITY ≥98%

Synonyms

1,2,2,6,6-Pentamethyl-4-piperidone | AKOS005255299 | MFCD00234684 | AS-55185 | GHJUORCGZFHNKG-UHFFFAOYSA-N | STL556621 | 1,2,2,6,6-pentamethyl-piperidin-4-one | 1,2,2,6,6-pentamethylpiperidin-4-one | SB41142 | GEO-02088 | 1,2,2,6,6-Pentamethyl-4-piperidon

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

Product Introduction

1,2,2,6,6-Pentamethyl-4-piperidone is an intermediate for preparing pentamethylpiperidines of pharmacological importance. Its conformational analysis based on proton magnetic resonance spectra, dipole moments and molar Kerr constant have been reported.

Application

1,2,2,6,6-Pentamethyl-4-piperidone may be used in the preparation of 1-phenyl-2,2,6,6-tetramethyl-4-phenyliminopiperidine and 1-benzyl-2,2,6,6-tetramethyl-4-benzyliminopiperidine.

Specifications

Sinónimos

1, 2, 2, 6, 6-Pentamethyl-4-piperidone | AKOS005255299 | MFCD00234684 | AS-55185 | GHJUORCGZFHNKG-UHFFFAOYSA-N | STL556621 | 1, 2, 2, 6, 6-pentamethyl-piperidin-4-one | 1, 2, 2, 6, 6-pentamethylpiperidin-4-one | SB41142 | GEO-02088 | 1, 2, 2, 6, 6-Pentamethyl-4-piperidon

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at -20°C

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

≥98%

Nombres e identificadores

• Pubchem Sid: 504758053
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504758053
• Sonrisas canónicas: CC1(CC(=O)CC(N1C)(C)C)C
• IUPAC Name: 1,2,2,6,6-pentamethylpiperidin-4-one
• InChIKey: GHJUORCGZFHNKG-UHFFFAOYSA-N
• INCHI: 1S/C10H19NO/c1-9(2)6-8(12)7-10(3,4)11(9)5/h6-7H2,1-5H3
• Isómeros SMILES: CC1(CC(=O)CC(N1C)(C)C)C
• WGK Alemania: 3
• PubChem CID: 241955
• Peso molecular: 169.26

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Piperidines
      • Subclass Piperidinones

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Piperidines
• Subclass: Piperidinones
• Intermediate Tree Nodes: Not available
• Direct Parent: Piperidinones
• Alternative Parents: Trialkylamines Cyclic ketones Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Piperidinone - Ketone - Tertiary amine - Tertiary aliphatic amine - Cyclic ketone - Azacycle - Amine - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Aliphatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as piperidinones. These are compounds containing a piperidine ring which bears a ketone.
• 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

• Índice de refracción: 1.476
• Punto de inflamación (°F): 195.8 °F
• Punto de inflamación (°C): 91 °C
• Punto de ebullición (°C): 230-231 °C
• Peso molecular: 169.260 g/mol
• XLogP3: 1.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 169.147 Da
• Monoisotopic Mass: 169.147 Da
• Topological Polar Surface Area: 20.300 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 186.000
• 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