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

CAS: 103044-68-4 Cat. No.: N158900 Formule: C₂₅H₄₂O Poids moléculaire: 358.61

QUALITÉ & PURETÉ ≥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

Spécifications

Synonymes

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

Spécifications et pureté

≥97%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥97%

Noms et identifiants

Sourires canoniques

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

Isomères SMILES

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

Poids moléculaire

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
    • Classe Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Ketones
          • Level6 Aryl ketones
            • Level7 Phenylketones
              • Level8 Alkyl-phenylketones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: 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
• Description: 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

Propriétés chimiques et physiques

• Point de fusion (°C): 65 °C
• Poids moléculaire: 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