Octatriacontane - ≥95% , CAS No.7194-85-6

CAS: 7194-85-6 Cat. No.: O661952 Molecular Weight: 535.04 Beilstein Registry Number: 1713500 EC Number: 230-560-3

GRADE & PURITY ≥95%

Storage

Room temperature

Shipped In

Normal

Specifications

Specifications & Purity

≥95%

Storage

Room temperature

Shipped In

Normal

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 504753136
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504753136
• Canonical Smiles: CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
• IUPAC Name: octatriacontane
• InChIKey: BVKCQBBZBGYNOP-UHFFFAOYSA-N
• INCHI: 1S/C38H78/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-38H2,1-2H3
• Isomeric SMILES: CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
• WGK Germany: 3
• Molecular Weight: 535.04
• Beilstein: 1713500
• Reaxy-Rn: 1713496
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1713496&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Hydrocarbons
    • Class Saturated hydrocarbons
      • Subclass Alkanes

• Kingdom: Organic compounds
• Superclass: Hydrocarbons
• Class: 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
• Description: 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: Not available

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

Chemical and Physical Properties

• Melt Point(°C): 79 °C
• Molecular Weight: 535.000 g/mol
• XLogP3: 20.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 35
• Exact Mass: 534.61 Da
• Monoisotopic Mass: 534.61 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 38
• Formal Charge: 0
• Complexity: 336.000
• 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