5-Methyl-2-hexanoneoxime - ≥97%(mixture of isomers) , CAS No.624-44-2

CAS: 624-44-2 Cat. No.: M158557 Peso molecular: 129.2

GRADE & PURITY ≥97%(mixture of isomers)

Synonyms

SCHEMBL250665 | N-hydroxy-5-methyl-2-hexanimine | CID 12212 | DTXSID9060786 | AKOS017263165 | 5-Methylhexan-2-one oxime | FT-0632628 | CHEBI:131376 | N-(5-methylhexan-2-ylidene)hydroxylamine | D91366 | (E)-5-methylhexan-2-one oxime | 5-Methyl-2-hexanone o

Storage

Protected from light,Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

SCHEMBL250665 | N-hydroxy-5-methyl-2-hexanimine | CID 12212 | DTXSID9060786 | AKOS017263165 | 5-Methylhexan-2-one oxime | FT-0632628 | CHEBI:131376 | N-(5-methylhexan-2-ylidene)hydroxylamine | D91366 | (E)-5-methylhexan-2-one oxime | 5-Methyl-2-hexanone o

Especificaciones y pureza

≥97%(mixture of isomers)

Condiciones de almacenamiento de almacenamiento

Protected from light, 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%(mixture of isomers)

Nombres e identificadores

• Sonrisas canónicas: CC(C)CCC(=NO)C
• IUPAC Name: N-(5-methylhexan-2-ylidene)hydroxylamine
• InChIKey: ZVZUNLVAVHYXNI-UHFFFAOYSA-N
• INCHI: 1S/C7H15NO/c1-6(2)4-5-7(3)8-9/h6,9H,4-5H2,1-3H3
• Isómeros SMILES: CC(C)CCC(=NO)C
• RTECS: MP4025000
• Peso molecular: 129.2
• Reaxy-Rn: 1700740
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1700740&ln=

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: Organopnictogen compounds Organic oxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Ketoxime - Organic oxygen compound - Organopnictogen 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: 129.199 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 129.115 Da
• Monoisotopic Mass: 129.115 Da
• Topological Polar Surface Area: 32.600 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 97.100
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 1
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1