Hexanedinitrile-d8 - ≥98 atom% D , CAS No.34006-32-1

CAS: 34006-32-1 Cat. No.: H978973 分子式: C₆D₈N₂ 分子量: 116.19 EC番号: 693-168-5 PubChem CID: 16213232

GRADE & PURITY ≥98 atom% D

Storage

Room temperature

Specifications

仕様と純度

≥98 atom% D

保管条件

Room temperature

純度

≥98 atom% D

名前と識別子

• カノニカル・スマイル: C(CCC#N)CC#N
• IUPAC Name: 2,2,3,3,4,4,5,5-octadeuteriohexanedinitrile
• InChIKey: BTGRAWJCKBQKAO-SVYQBANQSA-N
• INCHI: 1S/C6H8N2/c7-5-3-1-2-4-6-8/h1-4H2/i1D2,2D2,3D2,4D2
• 異性体SMILES: [2H]C([2H])(C#N)C([2H])([2H])C([2H])([2H])C([2H])([2H])C#N
• PubChem CID: 16213232
• 分子量: 116.19

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • 分類 Organonitrogen compounds
      • Subclass Organic cyanides

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• 分類: Organonitrogen compounds
• Subclass: Organic cyanides
• Intermediate Tree Nodes: Not available
• Direct Parent: Nitriles
• Alternative Parents: Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Nitrile - Carbonitrile - Organopnictogen compound - Hydrocarbon derivative - Aliphatic acyclic compound
• 説明: This compound belongs to the class of organic compounds known as nitriles. These are compounds having the structure RC#N; thus C-substituted derivatives of hydrocyanic acid, HC#N.
• 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

• 分子量: 116.190 g/mol
• XLogP3: -0.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 116.119 Da
• Monoisotopic Mass: 116.119 Da
• Topological Polar Surface Area: 47.600 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 113.000
• Isotope Atom Count: 8
• 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

よくある質問

What is the isotopic enrichment of this product?

This product is isotopically enriched to ≥98 atom% deuterium. Isotopic enrichment is a separate specification from chemical purity — a labelled compound has both. Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 34006-32-1, the molecular formula is C6D8N2, and the molecular weight is 116.19 g/mol. InChIKey BTGRAWJCKBQKAO-SVYQBANQSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.