2,2,4,4-Tetramethyl-3-pentanone oxime - ≥97% , CAS No.7754-22-5

CAS: 7754-22-5 Cat. No.: T469678 Peso molecular: 157.25 Número EC: 622-106-1 PubChem CID: 5048472

GRADE & PURITY ≥97%

Synonyms

2,2,4,4-Tetramethyl-3-pentanone oxime, 97% | 2,2,4,4-Tetramethyl-pentan-3-one oxime | 2,2,4,4-tetramethylpentan-3-one oxime | DTXSID40407791 | 2,2,4,4-Tetramethyl-3-pentanone oxime | SCHEMBL1269039 | di-t-butyl ketoxime | FT-0693743 | N-(2,2,4,4-tetrameth

Storage

Room temperature

Descripción general

Description

γ-irradiated single crystals of 2,2,4,4-tetramethyl-3-pentanone oxime (TPO) have been analyzed between temperatures of 125 and 450K by electron paramagnetic resonance (EPR) spectroscopy.

Specifications

Sinónimos

2, 2, 4, 4-Tetramethyl-3-pentanone oxime, 97% | 2, 2, 4, 4-Tetramethyl-pentan-3-one oxime | 2, 2, 4, 4-tetramethylpentan-3-one oxime | DTXSID40407791 | 2, 2, 4, 4-Tetramethyl-3-pentanone oxime | SCHEMBL1269039 | di-t-butyl ketoxime | FT-0693743 | N-(2, 2, 4, 4-tetrameth

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: CC(C)(C)C(=NO)C(C)(C)C
• IUPAC Name: N-(2,2,4,4-tetramethylpentan-3-ylidene)hydroxylamine
• InChIKey: BJXJCAMLWINIQS-UHFFFAOYSA-N
• INCHI: 1S/C9H19NO/c1-8(2,3)7(10-11)9(4,5)6/h11H,1-6H3
• Isómeros SMILES: CC(C)(C)C(=NO)C(C)(C)C
• WGK Alemania: 3
• PubChem CID: 5048472
• Peso molecular: 157.25

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Clase Organonitrogen compounds
      • Subclass Oximes

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Clase: Organonitrogen compounds
• Subclass: Oximes
• Intermediate Tree Nodes: Not available
• Direct Parent: Ketoximes
• Alternative Parents: Organic oxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Ketoxime - Organic oxygen compound - Hydrocarbon derivative - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as ketoximes. These are organic compounds with the general formula RC(R')=NOH (R,R' = organyl).
• 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

• Peso molecular: 157.250 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 157.147 Da
• Monoisotopic Mass: 157.147 Da
• Topological Polar Surface Area: 32.600 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 141.000
• 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