Docosanoyl Ethanolamide - ≥98% , CAS No.94109-05-4

CAS: 94109-05-4 Cat. No.: D342817 분자식: C₂₄H₄₉NO₂ 분자량: 383.65

등급 & 순도 ≥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

Store at -20°C

Shipped In

Ice chest + Ice pads

개요

Docosanoyl ethanolamide is a saturated N-acylethanolamide. Studies have indicated that saturated ethanolamides may have a role in the functioning of ion channels.

사양

동의어

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

사양 및 순도

≥98%

보관 조건

Store at -20°C

배송

Ice chest + Ice pads

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순수함

≥98%

이름과 식별자

정식 스마일

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)

이성체 SMILES

CCCCCCCCCCCCCCCCCCCCCC(=O)NCCO

분자량

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
    • 분류 Organonitrogen compounds
      • Subclass Amines
        • Level5 Alkanolamines
          • Level6 1,2-aminoalcohols
            • Level7 N-acylethanolamines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• 분류: 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
• 설명: 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

화학 및 물리적 특성

• 용해성: Soluble in chloroform (~0.3 mg/ml), water (0.15 mg/ml at 20° C), ethanol, DMF, and DMSO.
• 굴절률: n20D1.47 (Predicted)
• 끓는점(°C): ~533.4° C at 760 mmHg (Predicted)
• 녹는점(°C): 222.19° C (Predicted)
• 분자량: 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