Docosane - ≥99% , CAS No.629-97-0

CAS: 629-97-0 Cat. No.: D104732 Summenformel: C₂₂H₄₆ Molekulargewicht: 310.61 Beilstein Registry Number: 1702206 EG-Nummer: 211-121-5

QUALITÄT & REINHEIT ≥99%

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

Spezifikationen

Synonyme

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

Spezifikationen & Reinheit

≥99%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥99%

Namen und Kennungen

Pubchem Sid

488181660

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488181660

Kanonisches Lächeln

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

Isomere SMILES

CCCCCCCCCCCCCCCCCCCCCC

WGK Deutschland

3

Molekulargewicht

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
    • Klasse Saturated hydrocarbons
      • Subclass Alkanes

• Kingdom: Organic compounds
• Superclass: Hydrocarbons
• Klasse: 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Brechungsindex: 1.4455
• Flammpunkt (°F): >110℃
• Flammpunkt (°C): >110℃
• Siedepunkt (°C): 368.6°C
• Schmelzpunkt (°C): 44.4°C
• Molekulargewicht: 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