Ethyl 6-aminonicotinate - ≥98% , CAS No.39658-41-8

CAS: 39658-41-8 Cat. No.: E170125 Formula: C₈H₁₀N₂O₂ Peso molecolare: 166.18 Numero EC: 640-766-9

GRADE & PURITY ≥98%

Synonyms

SCHEMBL465881 | EN300-189469 | 2-amino-5-pyridine carboxylic acid ethyl ester | AC-5746 | NSC37818 | NSC-37818 | ethyl 6-aminopyridine-3-carboxylate | ethyl-6-amino-nicotinate | Ethyl 6-Aminonicotinate | ethyl 6-amino-nicotinate | 6-Amino nicotinic acid e

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

SCHEMBL465881 | EN300-189469 | 2-amino-5-pyridine carboxylic acid ethyl ester | AC-5746 | NSC37818 | NSC-37818 | ethyl 6-aminopyridine-3-carboxylate | ethyl-6-amino-nicotinate | Ethyl 6-Aminonicotinate | ethyl 6-amino-nicotinate | 6-Amino nicotinic acid e

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥98%

Nomi e identificatori

• Pubchem Sid: 488188880
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488188880
• Sorrisi canonici: CCOC(=O)C1=CN=C(C=C1)N
• IUPAC Name: ethyl 6-aminopyridine-3-carboxylate
• InChIKey: FIKVWPJKNMTBBD-UHFFFAOYSA-N
• INCHI: 1S/C8H10N2O2/c1-2-12-8(11)6-3-4-7(9)10-5-6/h3-5H,2H2,1H3,(H2,9,10)
• Isomeri SMILES: CCOC(=O)C1=CN=C(C=C1)N
• Peso molecolare: 166.18
• Reaxy-Rn: 131524
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=131524&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: Aminopyridines and derivatives Imidolactams 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 - Imidolactam - 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
• 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 (umani)

PGD Tchem 6-phosphogluconate dehydrogenase, decarboxylating (0 Activities)

Discover Target: PGD

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

Meccanismi d'azione

Proprietà chimiche e fisiche

• Punto di fusione (°C): 145-150℃
• Peso molecolare: 166.180 g/mol
• XLogP3: 2.000
• 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

Domande frequenti

What is the purity of this product?

This product is supplied at ≥98% 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 39658-41-8, the molecular formula is C8H10N2O2, and the molecular weight is 166.18 g/mol. InChIKey FIKVWPJKNMTBBD-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.