Dotriacontane - Standard for GC, ≥98%(GC) , CAS No.544-85-4

CAS: 544-85-4 Cat. No.: D104738 分子式: C₃₂H₆₆ 分子量: 450.87 Beilstein Registry Number: 1783260 EC番号: 208-881-5

グレード＆純度 Standard for GC, ≥98%(GC)

Synonyms

Bicetyl|Dotriacontane, n-|Dotriacontane; Bicetyl; NSC 6361; n-Dotriacontane|Lacceran|DICETYL|DOTRIACONTANE|n-Dotriacontane

Storage

Room temperature

Shipped In

Normal

仕様

同義語

Bicetyl | Dotriacontane, n- | Dotriacontane; Bicetyl; NSC 6361; n-Dotriacontane | Lacceran | DICETYL | DOTRIACONTANE | n-Dotriacontane

仕様と純度

Standard for GC, ≥98%(GC)

保管条件

Room temperature

入荷

Normal

等級

Standard for GC

純度

≥98%(GC)

名前と識別子

パブケム・シド

508811465

カノニカル・スマイル

CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC

IUPAC Name

dotriacontane

InChIKey

QHMGJGNTMQDRQA-UHFFFAOYSA-N

INCHI

1S/C32H66/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-32H2,1-2H3

異性体SMILES

CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC

WGKドイツ

3

RTECS

JT2360000

分子量

450.87

Beilstein

1783260

Reaxy-Rn

1783260

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1783260&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: Hydrocarbons

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

• 屈折率: 1.455
• 沸点（°C）: 467°C
• 融点（°C）: 69.7°C
• 分子量: 450.900 g/mol
• XLogP3: 16.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 29
• Exact Mass: 450.516 Da
• Monoisotopic Mass: 450.516 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 32
• Formal Charge: 0
• Complexity: 264.000
• 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