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

CAS: 23949-66-8 Cat. No.: U695044 Summenformel: C₁₈H₂₀N₂O₃ Molekulargewicht: 312.37 EG-Nummer: 245-950-9 PubChem CID: 90303

QUALITÄT & REINHEIT ≥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

Spezifikationen

Synonyme

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

Spezifikationen & Reinheit

≥95%(mixture of isomers)

Storage

Room temperature,Argon charged

Verschickt in

Normal

Reinheit

≥95%(mixture of isomers)

Produkteigenschaften

ALogP

3.5

Namen und Kennungen

Pubchem Sid

528774525

Kanonisches Lächeln

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)

Isomere SMILES

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

PubChem CID

90303

Molekulargewicht

312.37

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Klasse Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Ebene5 Amino acids and derivatives
          • Ebene6 Alpha amino acids and derivatives
            • Ebene7 Alpha amino acid amides

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Klasse: 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Löslichkeit: 0.3 mg/l 20 °C
• Empfindlichkeit: Air sensitive
• Schmelzpunkt (°C): 127 °C
• Molekulargewicht: 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