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

CAS: 62369-67-9 Cat. No.: E472141 分子式: C₂₀D₄₂ 分子量: 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

同義語

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

仕様と純度

≥98 atom% D,≥97%

保管条件

Protected from light,Room temperature,Argon charged

入荷

Normal

純度

≥98 atom% D,≥97%

名前と識別子

• カノニカル・スマイル: 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
• 異性体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]
• 代替CAS番号: 112-95-8(unlabelled)
• 分子量: 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
    • 分類 Saturated hydrocarbons

• Kingdom: Organic compounds
• Superclass: Hydrocarbons
• 分類: 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
• 説明: 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

化学的性質と物理的性質

• 感度: Light sensitive；Moisture sensitive
• 沸点（°C）: 220℃/30mmHg (lit.)
• 融点（°C）: 36-38℃ (lit.)
• 分子量: 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