Docosane - analytical standard, ≥99.5%(GC) , CAS No.629-97-0

CAS: 629-97-0 Cat. No.: D104734 Fórmula: C₂₂H₄₆ Peso molecular: 310.61 Beilstein Registry Number: 1702206 Número CE: 211-121-5

GRAU & PUREZA Analytical standard, ≥99.5%(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

Especificações

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

Especificações e pureza

analytical standard, ≥99.5%(GC)

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Grau

Analytical standard

Pureza

≥99.5%(GC)

Nomes e identificadores

Pubchem Sid

528769587

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528769587

Sorrisos canónicos

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

SMILES isoméricas

CCCCCCCCCCCCCCCCCCCCCC

WGK Alemanha

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
    • Classe Saturated hydrocarbons
      • Subclass Alkanes

• Kingdom: Organic compounds
• Superclass: Hydrocarbons
• Classe: 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
• Descrição: 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

Propriedades químicas e físicas

• Índice de refração: 1.4455
• Ponto de inflamação (°F): >110℃
• Ponto de inflamação (°C): >110℃
• Ponto de ebulição (°C): 368.6°C
• Ponto de fusão (°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