Ethyl 2-Methylnicotinate - ≥98%(GC) , CAS No.1721-26-2

CAS: 1721-26-2 Cat. No.: E123040 Fórmula: C₉H₁₁NO₂ Peso molecular: 165.19 Beilstein Registry Number: 118200 Número CE: 217-013-4

GRADE & PURITY ≥98%(GC)

Synonyms

AB00718 | PS-5078 | Ethyl2-methylnicotinate | Phenylaethylsenfoel | UNII-F7SS2LF4HT | J-010796 | AC-28215 | E0860 | (+)-(S)-Carvone | SCHEMBL109206 | EINECS 217-013-4 | DTXSID80169205 | FT-0613067 | Z1020694348 | HY-W010105 | A26204 | ethyl 2-methyl nicot

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

AB00718 | PS-5078 | Ethyl2-methylnicotinate | Phenylaethylsenfoel | UNII-F7SS2LF4HT | J-010796 | AC-28215 | E0860 | (+)-(S)-Carvone | SCHEMBL109206 | EINECS 217-013-4 | DTXSID80169205 | FT-0613067 | Z1020694348 | HY-W010105 | A26204 | ethyl 2-methyl nicot

Especificações e pureza

≥98%(GC)

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥98%(GC)

Nomes e identificadores

• Pubchem Sid: 504754811
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504754811
• Sorrisos canónicos: CCOC(=O)C1=C(N=CC=C1)C
• IUPAC Name: ethyl 2-methylpyridine-3-carboxylate
• InChIKey: TZORNSWZUZDUCU-UHFFFAOYSA-N
• INCHI: 1S/C9H11NO2/c1-3-12-9(11)8-5-4-6-10-7(8)2/h4-6H,3H2,1-2H3
• SMILES isoméricas: CCOC(=O)C1=C(N=CC=C1)C
• WGK Alemanha: 3
• Peso molecular: 165.19
• Beilstein: 118200
• Reaxy-Rn: 118200
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=118200&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Pyridines and derivatives
      • Subclass Pyridinecarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Pyridines and derivatives
• Subclass: Pyridinecarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridinecarboxylic acids
• Alternative Parents: Methylpyridines Heteroaromatic compounds Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyridine carboxylic acid - Methylpyridine - Heteroaromatic compound - Carboxylic acid ester - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as pyridinecarboxylic acids. These are compounds containing a pyridine ring bearing a carboxylic acid group.
• 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

Alvos associados (não humanos)

Pseudomonas aeruginosa (123386 Activities)

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Acinetobacter baumannii (41033 Activities)

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Saccharomyces cerevisiae (19171 Activities)

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Mecanismos de ação

Propriedades químicas e físicas

• Índice de refração: 1.505
• Ponto de inflamação (°F): 217.4 °F
• Ponto de inflamação (°C): 102°C(215°F)
• Ponto de ebulição (°C): 125°C/20mmHg
• Peso molecular: 165.190 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 165.079 Da
• Monoisotopic Mass: 165.079 Da
• Topological Polar Surface Area: 39.200 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 159.000
• 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

Perguntas frequentes

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

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 1721-26-2, the molecular formula is C9H11NO2, and the molecular weight is 165.19 g/mol. InChIKey TZORNSWZUZDUCU-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.