4-(Trifluoromethyl)piperidin-4-amine dihydrochloride - ≥95% , CAS No.1803560-89-5

CAS: 1803560-89-5 Cat. No.: T973306 Molecular Weight: 241.080 EC Number: 859-673-1

GRADE & PURITY ≥95%

Storage

Room temperature

Specifications

Specifications & Purity

≥95%

Storage

Room temperature

Purity

≥95%

Names and Identifiers

• Canonical Smiles: C1CNCCC1(C(F)(F)F)N.Cl.Cl
• IUPAC Name: 4-(trifluoromethyl)piperidin-4-amine;dihydrochloride
• InChIKey: WZJWTZFLFZBCEO-UHFFFAOYSA-N
• INCHI: 1S/C6H11F3N2.2ClH/c7-6(8,9)5(10)1-3-11-4-2-5;;/h11H,1-4,10H2;2*1H
• Molecular Weight: 241.080

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Piperidines
      • Subclass Aminopiperidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Piperidines
• Subclass: Aminopiperidines
• Intermediate Tree Nodes: Not available
• Direct Parent: Aminopiperidines
• Alternative Parents: Dialkylamines Azacyclic compounds Organofluorides Monoalkylamines Hydrochlorides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: 4-aminopiperidine - Secondary aliphatic amine - Azacycle - Secondary amine - Alkyl fluoride - Hydrochloride - Primary amine - Organonitrogen compound - Organofluoride - Organohalogen compound - Primary aliphatic amine - Hydrocarbon derivative - Organic nitrogen compound - Amine - Alkyl halide - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as aminopiperidines. These are compounds containing a piperidine that carries an amino 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: 241.080 g/mol
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 240.041 Da
• Monoisotopic Mass: 240.041 Da
• Topological Polar Surface Area: 38.100 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 137.000
• 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: 3

XLogP3