Ethyl 4-ethoxynicotinate - ≥98% , CAS No.33279-63-9

CAS: 33279-63-9 Cat. No.: E183779 Formula: C₁₀H₁₃NO₃ Peso molecolare: 195.2

GRADE & PURITY ≥98%

Synonyms

YHRJPBLXWUJBFG-UHFFFAOYSA-N | AKOS006311021 | Ethyl 4-ethoxypyridine-3-carboxylate | Ethyl 4-ethoxynicotinate | E81088 | 4-ethoxynicotinic acid ethyl ester | MFCD09972185 | DTXSID80489718 | ETHYL4-ETHOXYNICOTINATE | BS-28206 | ETHYL 4-ETHOXY-3-PYRIDINECAR

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinonimi

YHRJPBLXWUJBFG-UHFFFAOYSA-N | AKOS006311021 | Ethyl 4-ethoxypyridine-3-carboxylate | Ethyl 4-ethoxynicotinate | E81088 | 4-ethoxynicotinic acid ethyl ester | MFCD09972185 | DTXSID80489718 | ETHYL4-ETHOXYNICOTINATE | BS-28206 | ETHYL 4-ETHOXY-3-PYRIDINECAR

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Store at 2-8°C

Spedito in

Wet ice

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥98%

Nomi e identificatori

• Sorrisi canonici: CCOC1=C(C=NC=C1)C(=O)OCC
• IUPAC Name: ethyl 4-ethoxypyridine-3-carboxylate
• InChIKey: YHRJPBLXWUJBFG-UHFFFAOYSA-N
• INCHI: 1S/C10H13NO3/c1-3-13-9-5-6-11-7-8(9)10(12)14-4-2/h5-7H,3-4H2,1-2H3
• Isomeri SMILES: CCOC1=C(C=NC=C1)C(=O)OCC
• Peso molecolare: 195.2
• Reaxy-Rn: 473602
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=473602&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: Alkyl aryl ethers Heteroaromatic compounds Carboxylic acid esters Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyridine carboxylic acid - Alkyl aryl ether - Heteroaromatic compound - Carboxylic acid ester - Azacycle - Ether - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen 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

Proprietà chimiche e fisiche

• Peso molecolare: 195.210 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 195.09 Da
• Monoisotopic Mass: 195.09 Da
• Topological Polar Surface Area: 48.400 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 184.000
• 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