Hexacosane - analytical standard, ≥99.5%(GC) , CAS No.630-01-3

CAS: 630-01-3 Cat. No.: H105441 分子式: C₂₆H₅₄ 分子量: 366.71 Beilstein Registry Number: 1705609 EC番号: 211-124-1

グレード＆純度 Analytical standard, ≥99.5%(GC)

Synonyms

HEXACOSANE|Trans-4-hydroxyl-lprolinemethyl esterhydrochloride|HEXACOSANE, N-|n-Hexacosane|Hexacosane; NSC 122457; n-Hexacosane|Pentacosane, methyl-

Storage

Room temperature

Shipped In

Normal

仕様

同義語

HEXACOSANE | Trans-4-hydroxyl-lprolinemethyl esterhydrochloride | HEXACOSANE, N- | n-Hexacosane | Hexacosane; NSC 122457; n-Hexacosane | Pentacosane, methyl-

仕様と純度

analytical standard, ≥99.5%(GC)

保管条件

Room temperature

入荷

Normal

等級

分析用標準物質

純度

≥99.5%(GC)

名前と識別子

パブケム・シド

528769595

カノニカル・スマイル

CCCCCCCCCCCCCCCCCCCCCCCCCC

IUPAC Name

hexacosane

InChIKey

HMSWAIKSFDFLKN-UHFFFAOYSA-N

INCHI

1S/C26H54/c1-3-5-7-9-11-13-15-17-19-21-23-25-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-26H2,1-2H3

異性体SMILES

CCCCCCCCCCCCCCCCCCCCCCCCCC

WGKドイツ

3

分子量

366.71

Beilstein

1705609

Reaxy-Rn

1705609

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1705609&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Hydrocarbons
    • 分類 Saturated hydrocarbons
      • Subclass Alkanes

• Kingdom: Organic compounds
• Superclass: Hydrocarbons
• 分類: Saturated hydrocarbons
• Subclass: Alkanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Alkanes
• Alternative Parents: Not available
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Acyclic alkane - Alkane - Aliphatic acyclic compound
• 説明: This compound belongs to the class of organic compounds known as alkanes. These are acyclic branched or unbranched hydrocarbons having the general formula CnH2n+2 , and therefore consisting entirely of hydrogen atoms and saturated carbon atoms.
• External Descriptors: an alkane

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

• 引火点（°F）: 419℉
• 引火点（°C）: 215℃
• 沸点（°C）: 420°C
• 融点（°C）: 56-59°C
• 分子量: 366.700 g/mol
• XLogP3: 13.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 23
• Exact Mass: 366.423 Da
• Monoisotopic Mass: 366.423 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 196.000
• 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