Docosane - Standard for GC, ≥99%(GC) , CAS No.629-97-0

CAS: 629-97-0 Cat. No.: D104729 Peso molecular: 310.61 Beilstein Registry Number: 1702206 Número EC: 211-121-5

GRADE & PURITY Standard for GC, ≥99%(GC)

Synonyms

HY-N9929 | Normal-docosane | OW99Q363KO | UNII-OW99Q363KO | TWT | MFCD00009348 | CHEBI:46050 | PARAFOL 22-95 | DOCOSANE | Docosane, analytical standard | Docosane; NSC 77139; n-Docosane | DTXCID5027063 | Q150968 | STL453762 | ABD59C73-3CA6-4508-B950-18336

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

HY-N9929 | Normal-docosane | OW99Q363KO | UNII-OW99Q363KO | TWT | MFCD00009348 | CHEBI:46050 | PARAFOL 22-95 | DOCOSANE | Docosane, analytical standard | Docosane; NSC 77139; n-Docosane | DTXCID5027063 | Q150968 | STL453762 | ABD59C73-3CA6-4508-B950-18336

Especificaciones y pureza

Standard for GC, ≥99%(GC)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Grado

Standard for GC

Pureza

≥99%(GC)

Nombres e identificadores

• Sonrisas canónicas: CCCCCCCCCCCCCCCCCCCCCC
• IUPAC Name: docosane
• InChIKey: HOWGUJZVBDQJKV-UHFFFAOYSA-N
• INCHI: 1S/C22H46/c1-3-5-7-9-11-13-15-17-19-21-22-20-18-16-14-12-10-8-6-4-2/h3-22H2,1-2H3
• Isómeros SMILES: CCCCCCCCCCCCCCCCCCCCCC
• WGK Alemania: 3
• Peso molecular: 310.61
• Beilstein: 1702206
• Reaxy-Rn: 1702206
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1702206&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

• Solubilidad: Soluble in Benzene,Toluene
• Índice de refracción: 1.4455
• Punto de inflamación (°F): >110℃
• Punto de inflamación (°C): >110℃
• Punto de ebullición (°C): 368.6°C
• Punto de fusión (°C): 44.4°C
• Peso molecular: 310.600 g/mol
• XLogP3: 11.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 19
• Exact Mass: 310.36 Da
• Monoisotopic Mass: 310.36 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 153.000
• 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

Referencias

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