3-aminoisonicotinato de etilo - ≥98%(GC) , CAS No.14208-83-4

CAS: 14208-83-4 Cat. No.: E156483 Peso molecular: 166.18 Número EC: 811-048-4

GRADE & PURITY ≥98%(GC)

Synonyms

Ethyl 3-amino-4-pyridinecarboxylate | 3-Amino-4-pyridinecarboxylic acid ethyl ester | FT-0648891 | 3-Aminopyridine-4-carboxylic acid ethyl ester | AB15955 | Ethyl3-amino-4-pyridinecarboxylate | SCHEMBL1841640 | ethyl 3-aminoisonicotinate | FS-2558 | E1137

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

Ethyl 3-amino-4-pyridinecarboxylate | 3-Amino-4-pyridinecarboxylic acid ethyl ester | FT-0648891 | 3-Aminopyridine-4-carboxylic acid ethyl ester | AB15955 | Ethyl3-amino-4-pyridinecarboxylate | SCHEMBL1841640 | ethyl 3-aminoisonicotinate | FS-2558 | E1137

Especificaciones y pureza

≥98%(GC)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%(GC)

Nombres e identificadores

• Pubchem Sid: 488192801
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488192801
• Sonrisas canónicas: CCOC(=O)C1=C(C=NC=C1)N
• IUPAC Name: ethyl 3-aminopyridine-4-carboxylate
• InChIKey: BIFLTHWDFNLOTD-UHFFFAOYSA-N
• INCHI: 1S/C8H10N2O2/c1-2-12-8(11)6-3-4-10-5-7(6)9/h3-5H,2,9H2,1H3
• Isómeros SMILES: CCOC(=O)C1=C(C=NC=C1)N
• Peso molecular: 166.18
• Reaxy-Rn: 383705
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=383705&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Pyridines and derivatives
• Subclass: Pyridinecarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridinecarboxylic acids
• Alternative Parents: Aminopyridines and derivatives Vinylogous amides Heteroaromatic compounds Carboxylic acid esters Amino acids and derivatives Monocarboxylic acids and derivatives Azacyclic compounds Primary amines Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyridine carboxylic acid - Aminopyridine - Vinylogous amide - Heteroaromatic compound - Amino acid or derivatives - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Azacycle - Primary amine - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organopnictogen compound - Amine - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Aromatic heteromonocyclic compound
• Descripción: 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

Propiedades químicas y físicas

• Punto de fusión (°C): 65-69℃
• Peso molecular: 166.180 g/mol
• XLogP3: 0.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 166.074 Da
• Monoisotopic Mass: 166.074 Da
• Topological Polar Surface Area: 65.200 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 161.000
• 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