Dotriacontane - analytical standard, ≥99%(GC) , CAS No.544-85-4

CAS: 544-85-4 Cat. No.: D104743 Fórmula: C₃₂H₆₆ Peso molecular: 450.87 Beilstein Registry Number: 1783260 Número EC: 208-881-5

CALIDAD & PUREZA Analytical standard, ≥99%(GC)

Synonyms

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

Storage

Room temperature

Shipped In

Normal

Especificaciones

Sinónimos

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

Especificaciones y pureza

analytical standard, ≥99%(GC)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Grado

Analytical standard

Pureza

≥99%(GC)

Nombres e identificadores

Pubchem Sid

508811463

Sonrisas canónicas

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

Isómeros SMILES

CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC

WGK Alemania

3

RTECS

JT2360000

Peso molecular

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
    • Clase Saturated hydrocarbons
      • Subclass Alkanes

• Kingdom: Organic compounds
• Superclass: Hydrocarbons
• Clase: 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
• Descripción: 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

Propiedades químicas y físicas

• Índice de refracción: 1.455
• Punto de ebullición (°C): 467°C
• Punto de fusión (°C): 69.7°C
• Peso molecular: 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