2-Methylpentane-d₁₄ - ≥98 atom% D , CAS No.284487-65-6

CAS: 284487-65-6 Cat. No.: M471980 Fórmula: CD₃CD₂CD₂CD(CD₃)₂ Peso molecular: 100.26 Número EC: 693-192-6

CALIDAD & PUREZA ≥98 atom% D

Synonyms

1,1,1,2,2,3,3,4,5,5,5-undecadeuterio-4-(trideuteriomethyl)pentane|2-(~2~H_3_)Methyl(~2~H_11_)pentane|2-Methylpentane-d14

Storage

Room temperature

Especificaciones

Sinónimos

1,1,1,2,2,3,3,4,5,5,5-undecadeuterio-4-(trideuteriomethyl)pentane | 2-(~2~H_3_)Methyl(~2~H_11_)pentane | 2-Methylpentane-d14

Especificaciones y pureza

≥98 atom% D

Condiciones de almacenamiento de almacenamiento

Room temperature

Pureza

≥98 atom% D

Nombres e identificadores

Sonrisas canónicas

CCCC(C)C

IUPAC Name

1,1,1,2,2,3,3,4,5,5,5-undecadeuterio-4-(trideuteriomethyl)pentane

InChIKey

AFABGHUZZDYHJO-YSWKHMAKSA-N

INCHI

1S/C6H14/c1-4-5-6(2)3/h6H,4-5H2,1-3H3/i1D3,2D3,3D3,4D2,5D2,6D

Isómeros SMILES

[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])(C([2H])([2H])[2H])C([2H])([2H])[2H]

Número ONU

1208

Peso molecular

100.26

Reaxy-Rn

1730735

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1730735&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: Branched alkanes
• Alternative Parents: Not available
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Branched alkane - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as branched alkanes. These are acyclic branched hydrocarbons having the general formula CnH2n+2.
• 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

• Índice de refracción: n20/D 1.371 (lit.)
• Punto de inflamación (°F): 19.4 °F
• Punto de inflamación (°C): -7.00 °C
• Punto de ebullición (°C): 62℃ (lit.)
• Peso molecular: 100.260 g/mol
• XLogP3: 3.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 100.197 Da
• Monoisotopic Mass: 100.197 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 21.200
• Isotope Atom Count: 14
• 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