UV Absorber 312 - ≥95%(mixture of isomers) , CAS No.23949-66-8

CAS: 23949-66-8 Cat. No.: U695044 分子式: C₁₈H₂₀N₂O₃ 分子量: 312.37 EC番号: 245-950-9 PubChem CID: 90303

グレード＆純度 ≥95%(mixture of isomers)

Synonyms

N1-(2-Ethoxyphenyl)-N2-(2-ethylphenyl)oxalamide | 2-Ethoxy-2'-ethyloxanilide | N-(2-Ethoxyphenyl)-N'-(2-ethylphenyl)ethanediamide

Storage

Room temperature,Argon charged

Shipped In

Normal

仕様

同義語

N1-(2-Ethoxyphenyl)-N2-(2-ethylphenyl)oxalamide | 2-Ethoxy-2'-ethyloxanilide | N-(2-Ethoxyphenyl)-N'-(2-ethylphenyl)ethanediamide

仕様と純度

≥95%(mixture of isomers)

保管条件

Room temperature,Argon charged

入荷

Normal

純度

≥95%(mixture of isomers)

製品の性質

ALogP

3.5

名前と識別子

パブケム・シド

528774525

カノニカル・スマイル

CCC1=CC=CC=C1NC(=O)C(=O)NC2=CC=CC=C2OCC

IUPAC Name

N'-(2-ethoxyphenyl)-N-(2-ethylphenyl)oxamide

InChIKey

YIMHRDBSVCPJOV-UHFFFAOYSA-N

INCHI

1S/C18H20N2O3/c1-3-13-9-5-6-10-14(13)19-17(21)18(22)20-15-11-7-8-12-16(15)23-4-2/h5-12H,3-4H2,1-2H3,(H,19,21)(H,20,22)

異性体SMILES

CCC1=CC=CC=C1NC(=O)C(=O)NC2=CC=CC=C2OCC

PubChem CID

90303

分子量

312.37

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • 分類 Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives
            • Level7 Alpha amino acid amides

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• 分類: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives
• Direct Parent: Alpha amino acid amides
• Alternative Parents: Anilides Phenoxy compounds Phenol ethers N-arylamides Alkyl aryl ethers Secondary carboxylic acid amides Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alpha-amino acid amide - Anilide - Phenoxy compound - Phenol ether - N-arylamide - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Carboxamide group - Secondary carboxylic acid amide - Ether - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as alpha amino acid amides. These are amide derivatives of alpha amino acids.
• 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

• 溶解度: 0.3 mg/l 20 °C
• 感度: Air sensitive
• 融点（°C）: 127 °C
• 分子量: 312.400 g/mol
• XLogP3: 3.500
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 312.147 Da
• Monoisotopic Mass: 312.147 Da
• Topological Polar Surface Area: 67.400 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 400.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1