Erucamide - ≥85% , CAS No.112-84-5

CAS: 112-84-5 Cat. No.: E107867 分子式: C₂₂H₄₃NO 分子量: 337.58 EC番号: 204-009-2

グレード＆純度 ≥85%

Synonyms

cis-13-Docosenamide|Erucamide; erucylamide|erucic amide|2-hydroxy-1,2-diphenyl-ethanone|Eflossato|Methylnitrophenol|plastic additive 13|erucilamide|13-Docosenamide, (Z)-|Erucoyl amide|AMBUCAINE [INN]|(13Z)-13-Docosenamide|Carbamic acid, dimethyl-, 1-isopropyl-3-methylpyrazol-5-yl ester|Crodamide ER|ERUCAMIDE (ERUCYLAMIDE)|Erucyl amide|(13Z)-docosenamide|Kemamide E|(Z)-Docos-13-enamide|ERUCAMIDE [HSDB]|Crodamide E|13-Docosenamide, cis-|(Z)-13-Docosenamide|Antioxidant NG-2246|(13Z)-docos-13-enamide|PLASTIC ADDITIVE 13 [USP-RS]|Armid E|13-Docosenamide, (13Z)-|Erucic acid amide|ERUCAMIDE|Erucylamide|Plastic additive 21|Unislip 1753|Adogen 58|ERUCAMIDE [INCI]|Petrac eramide|13Z-Docosenamide|PLASTIC ADDITIVE 13 (USP-RS)|(13Z)-13-Docosenamide #

Storage

Room temperature,Desiccated

Shipped In

Normal

仕様

同義語

cis-13-Docosenamide | Erucamide; erucylamide | erucic amide | 2-hydroxy-1,2-diphenyl-ethanone | Eflossato | Methylnitrophenol | plastic additive 13 | erucilamide | 13-Docosenamide, (Z)- | Erucoyl amide | AMBUCAINE [INN] | (13Z)-13-Docosenamide | Carbamic acid, dimethyl-, 1-isopropyl-3-methylpyrazol-5-yl ester | Crodamide ER | ERUCAMIDE (E もっと見る

仕様と純度

≥85%

保管条件

Room temperature,Desiccated

入荷

Normal

純度

≥85%

名前と識別子

パブケム・シド

488195455

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/488195455

カノニカル・スマイル

CCCCCCCCC=CCCCCCCCCCCCC(=O)N

IUPAC Name

(Z)-docos-13-enamide

InChIKey

UAUDZVJPLUQNMU-KTKRTIGZSA-N

INCHI

1S/C22H43NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h9-10H,2-8,11-21H2,1H3,(H2,23,24)/b10-9-

異性体SMILES

CCCCCCCC/C=C\CCCCCCCCCCCC(=O)N

WGKドイツ

1

分子量

337.58

Reaxy-Rn

1728047

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1728047&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • 分類 Fatty Acyls
      • Subclass Fatty amides

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• 分類: Fatty Acyls
• Subclass: Fatty amides
• Intermediate Tree Nodes: Not available
• Direct Parent: Fatty amides
• Alternative Parents: Primary carboxylic acid amides Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Fatty amide - Primary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aliphatic acyclic compound
• 説明: This compound belongs to the class of organic compounds known as fatty amides. These are carboxylic acid amide derivatives of fatty acids, that are formed from a fatty acid and an amine.
• 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

作用メカニズム

化学的性質と物理的性質

• 溶解度: Slightly soluble in ethanol and acetone.
• 融点（°C）: 81 °C
• 分子量: 337.600 g/mol
• XLogP3: 8.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 19
• Exact Mass: 337.334 Da
• Monoisotopic Mass: 337.334 Da
• Topological Polar Surface Area: 43.100 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 286.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1