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 CE: 693-192-6

GRAU & 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

Especificações

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

Especificações e pureza

≥98 atom% D

Condições de armazenamento de armazenamento

Room temperature

Pureza

≥98 atom% D

Nomes e identificadores

Sorrisos canónicos

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

SMILES isoméricas

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

Número UN

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
    • Classe Saturated hydrocarbons
      • Subclass Alkanes

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

Propriedades químicas e físicas

• Índice de refração: n20/D 1.371 (lit.)
• Ponto de inflamação (°F): 19.4 °F
• Ponto de inflamação (°C): -7.00 °C
• Ponto de ebulição (°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