Hexane-d₁₄ - ≥99 atom% D , CAS No.21666-38-6

CAS: 21666-38-6 Cat. No.: H121283 分子式: CD₃(CD₂)₄CD₃ 分子量: 100.26 Beilstein Registry Number: 100.26 EC番号: 680-747-2

GRADE & PURITY ≥99 atom% D

Synonyms

VLKZOEOYAKHREP-ZLKPZJALSA-N | MFCD00037562 | D99424 | Tetradecadeuterohexane | Q13640581 | J-014221 | Hexane-d14, 99 atom % D | N-HEXANE-D14 | n-Hexane-d{14} | 1,1,1,2,2,3,3,4,4,5,5,6,6,6-tetradecadeuteriohexane | Hexane-1,1,1,2,2,3,3,4,4,5,5,6,6,6-d14 |

Storage

Protected from light,Room temperature,Argon charged

Shipped In

Normal

概要

Hexane-d14 is a deuterated NMR solvent that is useful in NMR-based research and analyses.

Specifications

同義語

VLKZOEOYAKHREP-ZLKPZJALSA-N | MFCD00037562 | D99424 | Tetradecadeuterohexane | Q13640581 | J-014221 | Hexane-d14, 99 atom % D | N-HEXANE-D14 | n-Hexane-d{14} | 1,1,1,2,2,3,3,4,4,5,5,6,6,6-tetradecadeuteriohexane | Hexane-1,1,1,2,2,3,3,4,4,5,5,6,6,6-d14 |

仕様と純度

≥99 atom% D

保管条件

Protected from light,Room temperature,Argon charged

入荷

Normal

純度

≥99 atom% D

名前と識別子

パブケム・シド

508813878

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/508813878

カノニカル・スマイル

CCCCCC

IUPAC Name

1,1,1,2,2,3,3,4,4,5,5,6,6,6-tetradecadeuteriohexane

InChIKey

VLKZOEOYAKHREP-ZLKPZJALSA-N

INCHI

1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3/i1D3,2D3,3D2,4D2,5D2,6D2

異性体SMILES

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

WGKドイツ

3

代替CAS番号

110-54-3（ Unlabeled）

分子量

100.26

Beilstein

100.26

Reaxy-Rn

1730733

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1730733&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Hydrocarbons
    • 分類 Saturated hydrocarbons
      • Subclass Alkanes

• Kingdom: Organic compounds
• Superclass: Hydrocarbons
• 分類: Saturated hydrocarbons
• Subclass: Alkanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Alkanes
• Alternative Parents: Not available
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Acyclic alkane - Alkane - Aliphatic acyclic compound
• 説明: This compound belongs to the class of organic compounds known as alkanes. These are acyclic branched or unbranched hydrocarbons having the general formula CnH2n+2 , and therefore consisting entirely of hydrogen atoms and saturated carbon atoms.
• 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

• 溶解度: Mixes with most organic solvents, chloroform, ether and alcohol. Insoluble in water.
• 感度: Hygroscopic；Light sensitive
• 屈折率: 1.3718
• 引火点（°F）: 10.4 °F
• 引火点（°C）: -12 °C
• 沸点（°C）: 69°C
• 分子量: 100.260 g/mol
• XLogP3: 3.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 3
• 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: 12.000
• 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