(Rac)-ABT-202 dihydrochloride - ≥95% , CAS No.1258641-38-1

CAS: 1258641-38-1 Cat. No.: A651196 Molecular Weight: 236.14 EC Number: 871-413-9 PubChem CID: 50988405

GRADE & PURITY ≥95%

Synonyms

1-pyridin-3-ylpyrrolidin-3-amine;dihydrochloride | 1-(pyridin-3-yl)pyrrolidin-3-aminedihydrochloride | HY-124540B | Z1263714134 | EN300-69225 | (Rac)-ABT-202 (dihydrochloride) | ABT-202 dihydrochloride | 1-(pyridin-3-yl)pyrrolidin-3-amine dihydrochloride

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Overview

(Rac)-ABT-202 dihydrochloride is a racemate of ABT-202. ABT-202 is an agonist of nicotinic acetylcholine receptors (nAChRs) and can be used as an analgesic.

Form:Solid

Specifications

Synonyms

1-pyridin-3-ylpyrrolidin-3-amine;dihydrochloride | 1-(pyridin-3-yl)pyrrolidin-3-aminedihydrochloride | HY-124540B | Z1263714134 | EN300-69225 | (Rac)-ABT-202 (dihydrochloride) | ABT-202 dihydrochloride | 1-(pyridin-3-yl)pyrrolidin-3-amine dihydrochloride

Specifications & Purity

≥95%

Biochemical and Physiological Mechanisms

(Rac)-ABT-202 dihydrochloride is a racemate of ABT-202. ABT-202 is an agonist of nicotinic acetylcholine receptors (nAChRs) and can be used as an analgesic.

Storage

Store at 2-8°C, Desiccated

Shipped In

Wet ice

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

Action Type

AGONIST

Purity

≥95%

Names and Identifiers

• Canonical Smiles: C1CN(CC1N)C2=CN=CC=C2.Cl.Cl
• IUPAC Name: 1-pyridin-3-ylpyrrolidin-3-amine;dihydrochloride
• InChIKey: UPJISLUDXYKVQF-UHFFFAOYSA-N
• INCHI: 1S/C9H13N3.2ClH/c10-8-3-5-12(7-8)9-2-1-4-11-6-9;;/h1-2,4,6,8H,3,5,7,10H2;2*1H
• Isomeric SMILES: C1CN(CC1N)C2=CN=CC=C2.Cl.Cl
• PubChem CID: 50988405
• Molecular Weight: 236.14

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Class Organonitrogen compounds
      • Subclass Amines
        • Level5 Tertiary amines
          • Level6 Tertiary alkylarylamines
            • Level7 Dialkylarylamines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Class: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Tertiary amines - Tertiary alkylarylamines
• Direct Parent: Dialkylarylamines
• Alternative Parents: Aminopyridines and derivatives Pyrrolidines Heteroaromatic compounds Azacyclic compounds Monoalkylamines Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Dialkylarylamine - Aminopyridine - Pyridine - Heteroaromatic compound - Pyrrolidine - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Hydrochloride - Primary amine - Primary aliphatic amine - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as dialkylarylamines. These are aliphatic aromatic amines in which the amino group is linked to two aliphatic chains and one aromatic 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

• Solubility: DMSO : 33.33 mg/mL (141.15 mM; Need ultrasonic)
• Molecular Weight: 236.140 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 235.064 Da
• Monoisotopic Mass: 235.064 Da
• Topological Polar Surface Area: 42.200 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 149.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 3

XLogP3