n-Hexane - for environmental analysis , CAS No.110-54-3

CAS: 110-54-3 Cat. No.: H298923 分子式: C₆H₁₄ 分子量: 86.18 Beilstein Registry Number: 1730733 EC番号: 203-777-6

GRADE & PURITY for Environmental analysis

Synonyms

Hexane, Laboratory Reagent, >=95% | FT-0657006 | n-Hexane, ACS grade | DTXCID001917 | Heksan | N-HEXANE [MI] | n-Hexane 100 microg/mL in Methanol | Epitope ID:116866 | Hexane, JIS special grade, >=96.0% | AI3-24253 | HEXANE | Hexane, for HPLC, >=97.0% (GC

Storage

Room temperature,Desiccated

Shipped In

FedEx DG Service

概要

N-Hexane is a non-polar solvent.

Specifications

同義語

Hexane, Laboratory Reagent, >=95% | FT-0657006 | n-Hexane, ACS grade | DTXCID001917 | Heksan | N-HEXANE [MI] | n-Hexane 100 microg/mL in Methanol | Epitope ID:116866 | Hexane, JIS special grade, >=96.0% | AI3-24253 | HEXANE | Hexane, for HPLC, >=97.0% (GC

仕様と純度

for environmental analysis

保管条件

Room temperature,Desiccated

入荷

FedEx DG Service

等級

環境分析用

名前と識別子

パブケム・シド

508813808

カノニカル・スマイル

CCCCCC

IUPAC Name

hexane

InChIKey

VLKZOEOYAKHREP-UHFFFAOYSA-N

INCHI

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

異性体SMILES

CCCCCC

WGKドイツ

2

RTECS

MN9275000

UN番号

1208

包装グループ

II

分子量

86.18

Beilstein

1730733

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: 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）

HL-60 (67320 Activities)

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Escherichia coli (133304 Activities)

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Listeria monocytogenes (2626 Activities)

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作用メカニズム

化学的性質と物理的性質

• 溶解度: Very soluble in ethanol, ethyl ether and chloroform
• 感度: Moisture sensitive.
• 屈折率: 1.375
• 引火点（°F）: -8°F
• 引火点（°C）: -22℃
• 沸点（°C）: 69°C
• 融点（°C）: -95°C(lit.)
• 分子量: 86.180 g/mol
• XLogP3: 3.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 3
• 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: 12.000
• 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