Nonadecanophenone - ≥97% , CAS No.103044-68-4

CAS: 103044-68-4 Cat. No.: N158900 Fórmula: C₂₅H₄₂O Peso molecular: 358.61

CALIDAD & PUREZA ≥97%

Synonyms

N0664 | 1-phenylnonadecan-1-one | n-Nonadecanophenone | DTXSID10405305 | FT-0642517 | octadecylphenyl ketone | SCHEMBL2125312 | MFCD00094242 | 1-Phenyl-1-nonadecanone | AKOS024433654 | Nonadecanophenone | D91758 | Octadecyl Phenyl Ketone

Storage

Room temperature

Shipped In

Normal

Especificaciones

Sinónimos

N0664 | 1-phenylnonadecan-1-one | n-Nonadecanophenone | DTXSID10405305 | FT-0642517 | octadecylphenyl ketone | SCHEMBL2125312 | MFCD00094242 | 1-Phenyl-1-nonadecanone | AKOS024433654 | Nonadecanophenone | D91758 | Octadecyl Phenyl Ketone

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

Sonrisas canónicas

CCCCCCCCCCCCCCCCCCC(=O)C1=CC=CC=C1

IUPAC Name

1-phenylnonadecan-1-one

InChIKey

WTWRNRBSHQDWMY-UHFFFAOYSA-N

INCHI

1S/C25H42O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-25(26)24-21-18-17-19-22-24/h17-19,21-22H,2-16,20,23H2,1H3

Isómeros SMILES

CCCCCCCCCCCCCCCCCCC(=O)C1=CC=CC=C1

Peso molecular

358.61

Reaxy-Rn

3343716

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3343716&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Clase Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Ketones
          • Level6 Aryl ketones
            • Level7 Phenylketones
              • Level8 Alkyl-phenylketones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Clase: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Ketones - Aryl ketones - Phenylketones
• Direct Parent: Alkyl-phenylketones
• Alternative Parents: Butyrophenones Benzoyl derivatives Aryl alkyl ketones Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alkyl-phenylketone - Butyrophenone - Aryl alkyl ketone - Benzoyl - Benzenoid - Monocyclic benzene moiety - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group.
• 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): 65 °C
• Peso molecular: 358.600 g/mol
• XLogP3: 10.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 18
• Exact Mass: 358.324 Da
• Monoisotopic Mass: 358.324 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 303.000
• 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