Melinamide - ≥99% , CAS No.14417-88-0

CAS: 14417-88-0 Cat. No.: M1054487 PubChem CID: 20054967

GRADE & PURITY ≥99%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

仕様と純度

≥99%

保管条件

Store at -20°C

入荷

Ice chest + Ice pads

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥99%

名前と識別子

• カノニカル・スマイル: CCCCCC=CCC=CCCCCCCCC(=O)NC(C)C1=CC=CC=C1
• IUPAC Name: (9Z,12Z)-N-(1-phenylethyl)octadeca-9,12-dienamide
• InChIKey: RWIUTHWKQHRQNP-NQLNTKRDSA-N
• INCHI: 1S/C26H41NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-26(28)27-24(2)25-21-18-17-19-22-25/h7-8,10-11,17-19,21-22,24H,3-6,9,12-16,20,23H2,1-2H3,(H,27,28)/b8-7-,11-10-
• 異性体SMILES: CCCCC/C=C\C/C=C\CCCCCCCC(=O)NC(C)C1=CC=CC=C1
• 代替CAS番号: 14417-88-0
• PubChem CID: 20054967
• MeSH用語: melinamide;N-(2-methylbenzyl)linoleamide;N-(2-methylbenzyl)linoleamide, (+)-isomer;N-(2-methylbenzyl)linoleamide, (S-(Z,Z))-isomer;N-(2-methylbenzyl)linoleamide, (Z,Z)-(+-)-isomer;N-(alpha-methylbenzyl)-cis,cis-octadeca-9,12-dienamide;N-(alpha-methylbenzy

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: N-acyl amines
• Alternative Parents: Benzene and substituted derivatives Secondary carboxylic acid amides Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzenoid - N-acyl-amine - Monocyclic benzene moiety - Secondary 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 - Aromatic homomonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as n-acyl amines. These are compounds containing a fatty acid moiety linked to an amine group through an ester linkage.
• 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

化学的性質と物理的性質

• 分子量: 383.600 g/mol
• XLogP3: 8.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 16
• Exact Mass: 383.319 Da
• Monoisotopic Mass: 383.319 Da
• Topological Polar Surface Area: 29.100 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 420.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 2
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 2
• Covalently-Bonded Unit Count: 1