4-METOSSANILATO DI ETILE , CAS No.18522-99-1

CAS: 18522-99-1 Cat. No.: E168120 Formula: C₁₁H₁₃NO₄ Peso molecolare: 223.231

Synonyms

STK159519 | NCGC00319308-01 | AB01315423-02 | AKOS000343929 | Ethyl 2-(4-methoxyphenylamino)-2-oxoacetate | DTXSID60408644 | Ethyl 2-((4-methoxyphenyl)amino)-2-oxoacetate | Ethyl2-((4-methoxyphenyl)amino)-2-oxoacetate | EN300-181185 | ethyl 2-(4-methoxyan

Storage

Temperatura ambiente

Shipped In

Normale

Specifications

Sinonimi

STK159519 | NCGC00319308-01 | AB01315423-02 | AKOS000343929 | Ethyl 2-(4-methoxyphenylamino)-2-oxoacetate | DTXSID60408644 | Ethyl 2-((4-methoxyphenyl)amino)-2-oxoacetate | Ethyl2-((4-methoxyphenyl)amino)-2-oxoacetate | EN300-181185 | ethyl 2-(4-methoxyan

Condizioni di conservazione di stoccaggio

Temperatura ambiente

Spedito in

Normale

Nomi e identificatori

• Sorrisi canonici: CCOC(=O)C(=O)NC1=CC=C(C=C1)OC
• IUPAC Name: ethyl 2-(4-methoxyanilino)-2-oxoacetate
• InChIKey: QDDMLBBXHFMAJZ-UHFFFAOYSA-N
• INCHI: 1S/C11H13NO4/c1-3-16-11(14)10(13)12-8-4-6-9(15-2)7-5-8/h4-7H,3H2,1-2H3,(H,12,13)
• Isomeri SMILES: CCOC(=O)C(=O)NC1=CC=C(C=C1)OC
• Peso molecolare: 223.231
• Reaxy-Rn: 520791
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=520791&ln=

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

• 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
• Direct Parent: Alpha amino acids and derivatives
• Alternative Parents: Methoxyanilines Anilides Phenoxy compounds N-arylamides Methoxybenzenes Anisoles Alkyl aryl ethers Secondary carboxylic acid amides Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alpha-amino acid or derivatives - Anilide - Methoxyaniline - Anisole - Phenol ether - N-arylamide - Phenoxy compound - Methoxybenzene - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Secondary carboxylic acid amide - Carboxylic acid ester - Carboxamide group - Monocarboxylic acid or derivatives - Ether - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.
• 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

Proprietà chimiche e fisiche

• Peso molecolare: 223.220 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 223.084 Da
• Monoisotopic Mass: 223.084 Da
• Topological Polar Surface Area: 64.599 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 246.000
• 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

Domande frequenti

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 18522-99-1, the molecular formula is C11H13NO4, and the molecular weight is 223.231 g/mol. InChIKey QDDMLBBXHFMAJZ-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.