Eicosane-d₄₂ - ≥98 atom% D,≥97% , CAS No.62369-67-9

CAS: 62369-67-9 Cat. No.: E472141 Fórmula: C₂₀D₄₂ Peso molecular: 324.81

GRADE & PURITY ≥98 atom% D,≥97%

Synonyms

Eicosane-d42, 98 atom % D, 98% (CP) | (~2~H_42_)Icosane | n-Eicosane (d42) | DEUTERATED EICOSANE | 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,20-dotetracontadeuterioicosane | AKOS015915780 | DTX

Storage

Protected from light,Room temperature,Argon charged

Shipped In

Normal

Specifications

Sinónimos

Eicosane-d42, 98 atom % D, 98% (CP) | (~2~H_42_)Icosane | n-Eicosane (d42) | DEUTERATED EICOSANE | 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,20-dotetracontadeuterioicosane | AKOS015915780 | DTX

Especificaciones y pureza

≥98 atom% D,≥97%

Condiciones de almacenamiento de almacenamiento

Protected from light,Room temperature,Argon charged

Enviado en

Normal

Pureza

≥98 atom% D,≥97%

Nombres e identificadores

• Sonrisas canónicas: CCCCCCCCCCCCCCCCCCCC
• IUPAC Name: 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,20-dotetracontadeuterioicosane
• InChIKey: CBFCDTFDPHXCNY-ILDSYVRBSA-N
• INCHI: 1S/C20H42/c1-3-5-7-9-11-13-15-17-19-20-18-16-14-12-10-8-6-4-2/h3-20H2,1-2H3/i1D3,2D3,3D2,4D2,5D2,6D2,7D2,8D2,9D2,10D2,11D2,12D2,13D2,14D2,15D2,16D2,17D2,18D2,19D2,20D2
• Isómeros SMILES: [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])[2H]
• CAS alternativo: 112-95-8(unlabelled)
• Peso molecular: 324.81
• Reaxy-Rn: 1700722
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1700722&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Hydrocarbons
    • Clase Saturated hydrocarbons

• Kingdom: Organic compounds
• Superclass: Hydrocarbons
• Clase: Saturated hydrocarbons
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Saturated hydrocarbons
• Alternative Parents: Not available
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Saturated hydrocarbon - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as saturated hydrocarbons. These are hydrocarbons that contains only saturated carbon atoms, which are linked to one another through single bonds. These includes alkanes and cycloalkanes.
• 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

Propiedades químicas y físicas

• Sensibilidad: Light sensitive；Moisture sensitive
• Punto de ebullición (°C): 220℃/30mmHg (lit.)
• Punto de fusión (°C): 36-38℃ (lit.)
• Peso molecular: 324.800 g/mol
• XLogP3: 10.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 17
• Exact Mass: 324.592 Da
• Monoisotopic Mass: 324.592 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 132.000
• Isotope Atom Count: 42
• 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