Absorvente de UV 312 - ≥95%(mistura de isómeros) , CAS No.23949-66-8

CAS: 23949-66-8 Cat. No.: U695044 Fórmula: C₁₈H₂₀N₂O₃ Peso molecular: 312.37 Número CE: 245-950-9 PubChem CID: 90303

GRAU & PUREZA ≥95%(mixture of isomers)

Synonyms

N1-(2-Etoxifenil)-N2-(2-etilfenil)oxalamida | 2-Etoxi-2'-etiloxanilida | N-(2-Etoxifenil)-N'-(2-etilfenil)etanodiamida

Storage

Argon charged,Room temperature

Shipped In

Normal

Especificações

Sinónimos

N1-(2-Etoxifenil)-N2-(2-etilfenil)oxalamida | 2-Etoxi-2'-etiloxanilida | N-(2-Etoxifenil)-N'-(2-etilfenil)etanodiamida

Especificações e pureza

≥95%(mistura de isómeros)

Condições de armazenamento de armazenamento

Argon charged,Room temperature

Enviado em

Normal

Pureza

≥95%(mixture of isomers)

Propriedades do produto

ALogP

3.5

Nomes e identificadores

Pubchem Sid

528774525

Sorrisos canónicos

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)

SMILES isoméricas

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

PubChem CID

90303

Peso molecular

312.37

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe 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
• Classe: 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
• Descrição: 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

Propriedades químicas e físicas

• Solubilidade: 0.3 mg/l 20 °C
• Sensibilidade: Air sensitive
• Ponto de fusão (°C): 127 °C
• Peso molecular: 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