ドコサノイルエタノールアミド - ≥98% , CAS No.94109-05-4

CAS: 94109-05-4 Cat. No.: D342817 分子式: C₂₄H₄₉NO₂ 分子量: 383.65

グレード＆純度 ≥98%

Synonyms

NAE(22:0)|BEHENAMIDOPROPYL DIMETHYL GLYCINE｜N-(2-Hydroxyethyl)behenamide｜EINECS 302-442-2｜SR-01000946719-1｜Behenoyl-EA｜BEHENAMIDE PROPYLBETAINE｜CHEBI:146186｜Docosanamide, N-(2-Hydroxyethyl)-｜NAE 22:0｜Q27264399｜LMFA08040052｜N-(2-Hy

Storage

20℃で保存

Shipped In

アイスチェスト＋アイスパッド

概要

ドコサノイルエタノールアミドは飽和N-アシルエタノールアミドである。飽和エタノールアミドがイオンチャネルの機能に関与している可能性が研究により示されている。

仕様

同義語

NAE(22:0) | BEHENAMIDOPROPYL DIMETHYL GLYCINE｜N-(2-Hydroxyethyl)behenamide｜EINECS 302-442-2｜SR-01000946719-1｜Behenoyl-EA｜BEHENAMIDE PROPYLBETAINE｜CHEBI:146186｜Docosanamide, N-(2-Hydroxyethyl)-｜NAE 22:0｜Q27264399｜LMFA08040052｜N-(2-Hy

仕様と純度

≥98%

保管条件

20℃で保存

入荷

アイスチェスト＋アイスパッド

純度

≥98%

名前と識別子

カノニカル・スマイル

CCCCCCCCCCCCCCCCCCCCCC(=O)NCCO

IUPAC Name

N-(2-hydroxyethyl)docosanamide

InChIKey

XHFWUECSNJWBJU-UHFFFAOYSA-N

INCHI

1S/C24H49NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24(27)25-22-23-26/h26H,2-23H2,1H3,(H,25,27)

異性体SMILES

CCCCCCCCCCCCCCCCCCCCCC(=O)NCCO

分子量

383.65

Reaxy-Rn

19113007

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=19113007&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • 分類 Organonitrogen compounds
      • Subclass Amines
        • Level5 Alkanolamines
          • Level6 1,2-aminoalcohols
            • Level7 N-acylethanolamines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• 分類: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Alkanolamines - 1,2-aminoalcohols
• Direct Parent: N-acylethanolamines
• Alternative Parents: N-acyl amines Secondary carboxylic acid amides Primary alcohols Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: N-acylethanolamine - Fatty amide - N-acyl-amine - Fatty acyl - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Alcohol - Organooxygen compound - Primary alcohol - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Carbonyl group - Aliphatic acyclic compound
• 説明: This compound belongs to the class of organic compounds known as n-acylethanolamines. These are compounds containing an N-acyethanolamine moiety, which is characterized by an acyl group is linked to the nitrogen atom of ethanolamine.
• External Descriptors: N-acyl ethanolamines (endocannabinoids)

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: Soluble in chloroform (~0.3 mg/ml), water (0.15 mg/ml at 20° C), ethanol, DMF, and DMSO.
• 屈折率: n20D1.47 (Predicted)
• 沸点（°C）: ~533.4° C at 760 mmHg (Predicted)
• 融点（°C）: 222.19° C (Predicted)
• 分子量: 383.700 g/mol
• XLogP3: 9.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 22
• Exact Mass: 383.376 Da
• Monoisotopic Mass: 383.376 Da
• Topological Polar Surface Area: 49.300 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 294.000
• 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