Pentadecanophenone - ≥98% , CAS No.4669-04-9

CAS: 4669-04-9 Cat. No.: P160061 分子式: C₂₁H₃₄O 分子量: 302.5 Beilstein Registry Number: 7(2)271 PubChem CID: 259220

グレード＆純度 ≥98%

Synonyms

MFCD20257914 | D92170 | DTXSID90293368 | Pentadecanophenone | Phenyl Tetradecyl Ketone | P1903 | 1-phenylpentadecan-1-one | NSC88948 | NSC-88948 | SDNCECLJQYEDRK-UHFFFAOYSA-N | SCHEMBL965308

Storage

Store at 2-8°C

Shipped In

Wet ice

仕様

同義語

MFCD20257914 | D92170 | DTXSID90293368 | Pentadecanophenone | Phenyl Tetradecyl Ketone | P1903 | 1-phenylpentadecan-1-one | NSC88948 | NSC-88948 | SDNCECLJQYEDRK-UHFFFAOYSA-N | SCHEMBL965308

仕様と純度

≥98%

保管条件

Store at 2-8°C

入荷

Wet ice

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥98%

名前と識別子

パブケム・シド

508812592

カノニカル・スマイル

CCCCCCCCCCCCCCC(=O)C1=CC=CC=C1

IUPAC Name

1-phenylpentadecan-1-one

InChIKey

SDNCECLJQYEDRK-UHFFFAOYSA-N

INCHI

1S/C21H34O/c1-2-3-4-5-6-7-8-9-10-11-12-16-19-21(22)20-17-14-13-15-18-20/h13-15,17-18H,2-12,16,19H2,1H3

異性体SMILES

CCCCCCCCCCCCCCC(=O)C1=CC=CC=C1

PubChem CID

259220

分子量

302.5

Beilstein

7(2)271

Reaxy-Rn

2117621

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• 分類: 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
• 説明: 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

化学的性質と物理的性質

• 融点（°C）: 50 °C
• 分子量: 302.500 g/mol
• XLogP3: 8.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 14
• Exact Mass: 302.261 Da
• Monoisotopic Mass: 302.261 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 253.000
• 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