(+)-Epibatidine dihydrochloride - ≥99% , CAS No.166374-43-2

CAS: 166374-43-2 Cat. No.: E1294094 Fórmula: C11H13ClN2•HCl Peso molecular: 208.6923646 Número CE: 634-094-5 PubChem CID: 21946437

GRADE & PURITY ≥99%

Storage

Room temperature

Specifications

Especificações e pureza

≥99%

Condições de armazenamento de armazenamento

Room temperature

Tipo de ação

AGONIST

Pureza

≥99%

Nomes e identificadores

• Sorrisos canónicos: C1CC2C(CC1N2)C3=CN=C(C=C3)Cl.Cl.Cl
• IUPAC Name: 2-(6-chloropyridin-3-yl)-7-azabicyclo[2.2.1]heptane;dihydrochloride
• InChIKey: DGNNWUINALNROG-UHFFFAOYSA-N
• INCHI: 1S/C11H13ClN2.2ClH/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8;;/h1,4,6,8-10,14H,2-3,5H2;2*1H
• SMILES isoméricas: C1CC2C(CC1N2)C3=CN=C(C=C3)Cl.Cl.Cl
• PubChem CID: 21946437
• Peso molecular: 208.6923646

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Alkaloids and derivatives
    • Classe Epibatidine analogues

• Kingdom: Organic compounds
• Superclass: Alkaloids and derivatives
• Classe: Epibatidine analogues
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Epibatidine analogues
• Alternative Parents: Pyrrolidinylpyridines Aralkylamines 2-halopyridines Aryl chlorides Pyrrolidines Heteroaromatic compounds Dialkylamines Azacyclic compounds Organochlorides Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Epibatidine-skeleton - Pyrrolidinylpyridine - 2-halopyridine - Aralkylamine - Aryl chloride - Aryl halide - Pyridine - Heteroaromatic compound - Pyrrolidine - Azacycle - Secondary aliphatic amine - Secondary amine - Organoheterocyclic compound - Hydrochloride - Organonitrogen compound - Organochloride - Organohalogen compound - Amine - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as epibatidine analogues. These are compounds containing an epibatidine moiety, with a structure characterized by a 2-chloropyridine moiety connected to an 7-azabicyclo[2.2.1]heptane in exo position.
• 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

Propriedades químicas e físicas

• Peso molecular: 281.600 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 280.03 Da
• Monoisotopic Mass: 280.03 Da
• Topological Polar Surface Area: 24.900 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 221.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 3
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 3

XLogP3

Perguntas frequentes

What is the purity of this product?

This product is supplied at ≥99% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 166374-43-2, the molecular formula is C11H13ClN2?HCl, and the molecular weight is 208.6923646 g/mol. InChIKey DGNNWUINALNROG-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.