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

CAS: 1721-26-2 Cat. No.: E123040 Formula: C₉H₁₁NO₂ Peso molecolare: 165.19 Beilstein Registry Number: 118200 Numero EC: 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

Sinonimi

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

Specifiche e purezza

≥98%(GC)

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥98%(GC)

Nomi e identificatori

• Pubchem Sid: 504754811
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504754811
• Sorrisi canonici: 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
• Isomeri SMILES: CCOC(=O)C1=C(N=CC=C1)C
• WGK Germania: 3
• Peso molecolare: 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
• Descrizione: 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

Obiettivi associati (non umani)

Pseudomonas aeruginosa (123386 Activities)

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Acinetobacter baumannii (41033 Activities)

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Saccharomyces cerevisiae (19171 Activities)

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Meccanismi d'azione

Proprietà chimiche e fisiche

• Indice di rifrazione: 1.505
• Punto di infiammabilità (°F): 217.4 °F
• Punto di infiammabilità (°C): 102°C(215°F)
• Punto di ebollizione (°C): 125°C/20mmHg
• Peso molecolare: 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

Domande frequenti

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.