Erucamide - ≥85% , CAS No.112-84-5

CAS: 112-84-5 Cat. No.: E107867 Formula: C₂₂H₄₃NO Molecular Weight: 337.58 EC Number: 204-009-2

GRADE & PURITY ≥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

Specifications

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 (E Show more

Specifications & Purity

≥85%

Storage

Room temperature,Desiccated

Shipped In

Normal

Purity

≥85%

Names and Identifiers

Pubchem Sid

488195455

Pubchem Sid Url

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

Canonical Smiles

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-

Isomeric SMILES

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

WGK Germany

1

Molecular Weight

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
    • Class Fatty Acyls
      • Subclass Fatty amides

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: 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
• Description: 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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Slightly soluble in ethanol and acetone.
• Melt Point(°C): 81 °C
• Molecular Weight: 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