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

CAS: 284487-65-6 Cat. No.: M471980 Formula: CD₃CD₂CD₂CD(CD₃)₂ Peso molecolare: 100.26 Numero EC: 693-192-6

GRADE & PURITY ≥98 atom% D

Synonyms

1,1,1,2,2,3,3,4,5,5,5-undecadeuterio-4-(trideuteriomethyl)pentane | D98612 | 2-(?H?)methyl(?H??)pentane | 2-(~2~H_3_)Methyl(~2~H_11_)pentane | 2-Methylpentane-d14, 98 atom % D | J-017084 | DTXSID70583911 | 2-Methylpentane-d14

Storage

Room temperature

Specifications

Sinonimi

1,1,1,2,2,3,3,4,5,5,5-undecadeuterio-4-(trideuteriomethyl)pentane | D98612 | 2-(?H?)methyl(?H??)pentane | 2-(~2~H_3_)Methyl(~2~H_11_)pentane | 2-Methylpentane-d14, 98 atom % D | J-017084 | DTXSID70583911 | 2-Methylpentane-d14

Specifiche e purezza

≥98 atom% D

Condizioni di conservazione di stoccaggio

Room temperature

Purezza

≥98 atom% D

Nomi e identificatori

• Sorrisi canonici: 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
• Isomeri SMILES: [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])(C([2H])([2H])[2H])C([2H])([2H])[2H]
• Numero UN: 1208
• Peso molecolare: 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
• Descrizione: 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

Proprietà chimiche e fisiche

• Indice di rifrazione: n20/D 1.371 (lit.)
• Punto di infiammabilità (°F): 19.4 °F
• Punto di infiammabilità (°C): -7.00 °C
• Punto di ebollizione (°C): 62℃ (lit.)
• Peso molecolare: 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