2,2-Dimethylbutane - Standard for GC, ≥99.5%(GC) , CAS No.75-83-2

CAS: 75-83-2 Cat. No.: D105773 分子式: C₆H₁₄ 分子量: 86.18 Beilstein Registry Number: 1730736 EC番号: 200-906-8

GRADE & PURITY Standard for GC, ≥99.5%(GC)

Synonyms

2,2-DIMETHYLBUTANE|Neohexane|75-83-2|Butane, 2,2-dimethyl-|2,2-Dimethyl-butane|DTXSID4025111|07L56L3MP2|NSC-74126|HSDB 75|CCRIS 6019|EINECS 200-906-8|NSC 74126|UNII-07L56L3MP2|AI3-16043|Butane,2-dimethyl-|,2-DIMETHYLBUTANE|2,2-Dimethylbutane, 99%|(CH3)3CC

Storage

Room temperature

Shipped In

FedEx DG Service

Specifications

同義語

2,2-DIMETHYLBUTANE | Neohexane | 75-83-2 | Butane, 2,2-dimethyl- | 2,2-Dimethyl-butane | DTXSID4025111 | 07L56L3MP2 | NSC-74126 | HSDB 75 | CCRIS 6019 | EINECS 200-906-8 | NSC 74126 | UNII-07L56L3MP2 | AI3-16043 | Butane,2-dimethyl- | ,2-DIMETHYLBUTANE | 2,2-Dimethylbutane, 99% | (CH3)3CC

仕様と純度

Standard for GC, ≥99.5%(GC)

保管条件

Room temperature

入荷

FedEx DG Service

等級

Standard for GC

純度

≥99.5%(GC)

名前と識別子

• パブケム・シド: 508808578
• カノニカル・スマイル: CCC(C)(C)C
• IUPAC Name: 2,2-dimethylbutane
• InChIKey: HNRMPXKDFBEGFZ-UHFFFAOYSA-N
• INCHI: 1S/C6H14/c1-5-6(2,3)4/h5H2,1-4H3
• 異性体SMILES: CCC(C)(C)C
• WGKドイツ: 3
• UN番号: 1208
• 包装グループ: II
• 分子量: 86.18
• Beilstein: 1730736
• Reaxy-Rn: 1730736
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1730736&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: Branched alkanes
• Alternative Parents: Not available
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Branched alkane - Aliphatic acyclic compound
• 説明: 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

関連ターゲット（人間）

TSHR Tclin Thyroid stimulating hormone receptor (29986 Activities)

Discover Target: TSHR

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

作用メカニズム

化学的性質と物理的性質

• 屈折率: 1.3675-1.3695
• 引火点（°F）: -20.2 °F
• 引火点（°C）: -48.℃
• 沸点（°C）: 50°C
• 融点（°C）: -100 °C
• 分子量: 86.180 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 86.1096 Da
• Monoisotopic Mass: 86.1096 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 29.800
• Isotope Atom Count: 0
• 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

参考文献

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