Ethyl 5-methylnicotinate - ≥95% , CAS No.20826-02-2

CAS: 20826-02-2 Cat. No.: E191998 Summenformel: C₉H₁₁NO₂ Molekulargewicht: 165.19

GRADE & PURITY ≥95%

Synonyms

3-Pyridinecarboxylic acid, 5-methyl-, ethyl ester | AMY30543 | AC-17951 | ethyl 5-methyl-3-pyridinecarboxylate | BCP21531 | SCHEMBL6979199 | Ethyl 5-methylpyridine-3-carboxylate | SY041648 | DTXSID70463648 | F19183 | AC-9595 | AKOS006290071 | FT-0645209 |

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

3-Pyridinecarboxylic acid, 5-methyl-, ethyl ester | AMY30543 | AC-17951 | ethyl 5-methyl-3-pyridinecarboxylate | BCP21531 | SCHEMBL6979199 | Ethyl 5-methylpyridine-3-carboxylate | SY041648 | DTXSID70463648 | F19183 | AC-9595 | AKOS006290071 | FT-0645209 |

Spezifikationen & Reinheit

≥95%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥95%

Namen und Kennungen

• Pubchem Sid: 488197437
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488197437
• Kanonisches Lächeln: CCOC(=O)C1=CN=CC(=C1)C
• IUPAC Name: ethyl 5-methylpyridine-3-carboxylate
• InChIKey: CLGKEUKISVVXPZ-UHFFFAOYSA-N
• INCHI: 1S/C9H11NO2/c1-3-12-9(11)8-4-7(2)5-10-6-8/h4-6H,3H2,1-2H3
• Isomere SMILES: CCOC(=O)C1=CN=CC(=C1)C
• Molekulargewicht: 165.19
• Reaxy-Rn: 472755
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=472755&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: 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 Azacyclic 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 - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 165.190 g/mol
• XLogP3: 1.400
• 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

Häufig gestellte Fragen

What is the purity of this product?

This product is supplied at ≥95% purity (chemical assay). 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 20826-02-2, the molecular formula is C9H11NO2, and the molecular weight is 165.19 g/mol. InChIKey CLGKEUKISVVXPZ-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.