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

CAS: 284487-65-6 Cat. No.: M471980 분자식: CD₃CD₂CD₂CD(CD₃)₂ 분자량: 100.26 EC 번호: 693-192-6

등급 & 순도 ≥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

사양

동의어

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

사양 및 순도

≥98 atom% D

보관 조건

Room temperature

순수함

≥98 atom% D

이름과 식별자

정식 스마일

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

이성체 SMILES

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

UN 번호

1208

분자량

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
    • 분류 Saturated hydrocarbons
      • Subclass Alkanes

• Kingdom: Organic compounds
• Superclass: Hydrocarbons
• 분류: 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
• 설명: 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

화학 및 물리적 특성

• 굴절률: n20/D 1.371 (lit.)
• 발화점(°F): 19.4 °F
• 발화점(°C): -7.00 °C
• 끓는점(°C): 62℃ (lit.)
• 분자량: 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