Betahistine EP Impurity C (NSC19005) - ≥97% , CAS No.5452-87-9

CAS: 5452-87-9 Cat. No.: B412251 Molecular Weight: 241.33

GRADE & PURITY ≥97%

Synonyms

Methylbis(2-pyridylethyl)amine | NSC19005 | NSC-19005 | N-methyl-2-pyridin-2-yl-N-(2-pyridin-2-ylethyl)ethanamine | Betahistine EP Impurity C | N-Methyl-2-(pyridin-2-yl)-N-(2-(pyridin-2-yl)ethyl)ethanamine | Betahistine impurity C | RZ3BLT3LHN

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Information

Betahistine EP Impurity C (NSC19005) is structurally related to Betahistine and is a dimer of Betahistine. It is used as a reagent in the preparation of copper pyridylmethylethylenediamine dicyanamido polymeric complexes.

Specifications

Synonyms

Methylbis(2-pyridylethyl)amine | NSC19005 | NSC-19005 | N-methyl-2-pyridin-2-yl-N-(2-pyridin-2-ylethyl)ethanamine | Betahistine EP Impurity C | N-Methyl-2-(pyridin-2-yl)-N-(2-(pyridin-2-yl)ethyl)ethanamine | Betahistine impurity C | RZ3BLT3LHN

Specifications & Purity

≥97%

Biochemical and Physiological Mechanisms

Betahistine EP Impurity C (NSC19005) is structurally related to Betahistine and is a dimer of Betahistine. It is used as a reagent in the preparation of copper pyridylmethylethylenediamine dicyanamido polymeric complexes.

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%

Names and Identifiers

• Canonical Smiles: CN(CCC1=CC=CC=N1)CCC2=CC=CC=N2
• IUPAC Name: N-methyl-2-pyridin-2-yl-N-(2-pyridin-2-ylethyl)ethanamine
• InChIKey: PQHKIDBZBKQYMR-UHFFFAOYSA-N
• INCHI: 1S/C15H19N3/c1-18(12-8-14-6-2-4-10-16-14)13-9-15-7-3-5-11-17-15/h2-7,10-11H,8-9,12-13H2,1H3
• Isomeric SMILES: CN(CCC1=CC=CC=N1)CCC2=CC=CC=N2
• Molecular Weight: 241.33
• Reaxy-Rn: 405257
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=405257&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Class Organonitrogen compounds
      • Subclass Amines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Class: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Not available
• Direct Parent: Aralkylamines
• Alternative Parents: Pyridines and derivatives Heteroaromatic compounds Trialkylamines Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aralkylamine - Pyridine - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - Azacycle - Organoheterocyclic compound - Organopnictogen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as aralkylamines. These are alkylamines in which the alkyl group is substituted at one carbon atom by an aromatic hydrocarbyl 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

Chemical and Physical Properties

• Molecular Weight: 241.330 g/mol
• XLogP3: 2.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 241.158 Da
• Monoisotopic Mass: 241.158 Da
• Topological Polar Surface Area: 29.000 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 198.000
• 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