Nonane - analytical standard, ≥99.8%(GC) , CAS No.111-84-2

CAS: 111-84-2 Cat. No.: N103393 分子式: C₉H₂₀ 分子量: 128.26 Beilstein Registry Number: 1(4)447 EC番号: 203-913-4

GRADE & PURITY Analytical standard, ≥99.8%(GC)

Synonyms

NONANE|n-Nonane|111-84-2|Shellsol 140|Nonyl hydride|nonan|Iotrochotin|CCRIS 6081|HSDB 107|Lodyne S|EINECS 203-913-4|UNII-T9W3VH6G10|NSC 72430|T9W3VH6G10|DTXSID9025796|n-nonane-d20|CHEBI:32892|Lodyne S 100|NSC-72430|NONANE-5-C12|DTXCID005796|EC 203-913-4|6

Storage

Room temperature

Shipped In

FedEx DG Service

Specifications

同義語

NONANE | n-Nonane | 111-84-2 | Shellsol 140 | Nonyl hydride | nonan | Iotrochotin | CCRIS 6081 | HSDB 107 | Lodyne S | EINECS 203-913-4 | UNII-T9W3VH6G10 | NSC 72430 | T9W3VH6G10 | DTXSID9025796 | n-nonane-d20 | CHEBI:32892 | Lodyne S 100 | NSC-72430 | NONANE-5-C12 | DTXCID005796 | EC 203-913-4 | 6

仕様と純度

analytical standard, ≥99.8%(GC)

保管条件

Room temperature

入荷

FedEx DG Service

等級

分析用標準物質

純度

≥99.8%(GC)

名前と識別子

パブケム・シド

528772319

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/528772319

カノニカル・スマイル

CCCCCCCCC

IUPAC Name

nonane

InChIKey

BKIMMITUMNQMOS-UHFFFAOYSA-N

INCHI

1S/C9H20/c1-3-5-7-9-8-6-4-2/h3-9H2,1-2H3

異性体SMILES

CCCCCCCCC

RTECS

RA6115000

UN番号

1920

包装グループ

III

分子量

128.26

Beilstein

1(4)447

Reaxy-Rn

1696917

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1696917&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: a small molecule

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

Lymphoblastoid cell (5959 Activities)

Explore this target

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

関連ターゲット（非人間）

Rattus norvegicus (775804 Activities)

Explore this target

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

• 溶解度: Insoluble in water, soluble in ethanol and ether, miscible in benzene, acetone and chloroform.
• 屈折率: 1.4
• 引火点（°F）: 87.8 °F
• 引火点（°C）: 31°C(lit.)
• 沸点（°C）: 151°C
• 融点（°C）: -53°C
• 分子量: 128.250 g/mol
• XLogP3: 4.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 6
• Exact Mass: 128.157 Da
• Monoisotopic Mass: 128.157 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 33.300
• 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