Erucamide - ≥85% , CAS No.112-84-5

CAS: 112-84-5 Cat. No.: E107867 Molecular Weight: 337.58 EC Number: 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

Desiccated,Room temperature

Shipped In

Normal

Specifications

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

Specifications & Purity

≥85%

Storage

Desiccated, Room temperature

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

References

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2. Yajing Hu, Zhenxia Du, Xuechun Sun, Xin Ma, Jingdan Song, Haixia Sui, Augustine Atta Debrah.  (2020)  Non-targeted analysis and risk assessment of non-volatile compounds in polyamide food contact materials.  FOOD CHEMISTRY,      [PMID:33601649] [10.1016/j.foodchem.2020.128625]

3. Chun Hui Zhou, Li Cun Jun, Will P. Gates, Ting Ting Zhu, Yu Wei Hua.  (2019)  Co-intercalation of organic cations/amide molecules into montmorillonite with tunable hydrophobicity and swellability.  APPLIED CLAY SCIENCE,      [PMID:] [10.1016/j.clay.2019.105157]

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6. Ke Wang, Xiaoyan Sun, Fayong Li, Dong Xie.  (2024)  Solid-phase synthesis of grafted carbon black for superior aging resistance in biodegradable poly(butylene adipate-co-butylene terephthalate) composite films.  JOURNAL OF VINYL & ADDITIVE TECHNOLOGY,      [PMID:] [10.1002/vnl.22173]