Erucamide - ≥85% , CAS No.112-84-5

CAS: 112-84-5 Cat. No.: E107867 Formule: C₂₂H₄₃NO Poids moléculaire: 337.58 Numéro CE: 204-009-2

GRADE & PURITY ≥85%

Synonyms

0V89VY25BN | cis-13-Docosenamide | Erucamide; erucylamide | erucic amide | 2-hydroxy-1,2-diphenyl-ethanone | Eflossato | Methylnitrophenol | Erucamide, analytical standard | plastic additive 13 | erucilamide | 13-Docosenamide, (Z)- | CHEBI:142245 | EC 204

Storage

Room temperature,Desiccated

Shipped In

Normal

Specifications

Synonymes

0V89VY25BN | cis-13-Docosenamide | Erucamide; erucylamide | erucic amide | 2-hydroxy-1,2-diphenyl-ethanone | Eflossato | Methylnitrophenol | Erucamide, analytical standard | plastic additive 13 | erucilamide | 13-Docosenamide, (Z)- | CHEBI:142245 | EC 204

Spécifications et pureté

≥85%

Conditions de stockage de stockage

Room temperature,Desiccated

Expédié en

Normal

Pureté

≥85%

Noms et identifiants

Pubchem Sid

488195455

Pubchem Sid Url

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

Sourires canoniques

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-

Isomères SMILES

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

WGK Allemagne

1

Poids moléculaire

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
    • Classe Fatty Acyls
      • Subclass Fatty amides

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

Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Slightly soluble in ethanol and acetone.
• Point de fusion (°C): 81 °C
• Poids moléculaire: 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