2,2,2-trifluoro-1-tetrahydropyran-4-yl-ethanamine;hydrochloride - ≥97% , CAS No.2089257-13-4

CAS: 2089257-13-4 Cat. No.: T631499 EC Number: 844-474-4 PubChem CID: 122714164

GRADE & PURITY ≥97%

Synonyms

2,2,2-Trifluoro-1-(tetrahydro-2H-pyran-4-yl)ethanamine Hydrochloride | AKOS027469391 | 2,2,2-Trifluoro-1-(tetrahydro-2H-pyran-4-yl)- ethanamine HCl | P20879 | EN300-373280 | AS-79619 | SY323656 | Z2768172126 | 2089257-13-4 | 2,2,2-trifluoro-1-(oxan-4-yl)e

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

2, 2, 2-Trifluoro-1-(tetrahydro-2H-pyran-4-yl)ethanamine Hydrochloride | AKOS027469391 | 2, 2, 2-Trifluoro-1-(tetrahydro-2H-pyran-4-yl)- ethanamine HCl | P20879 | EN300-373280 | AS-79619 | SY323656 | Z2768172126 | 2089257-13-4 | 2, 2, 2-trifluoro-1-(oxan-4-yl)e

Specifications & Purity

≥97%

Storage

Store at 2-8°C

Shipped In

Wet ice

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

Purity

≥97%

Names and Identifiers

• Canonical Smiles: C1COCCC1C(C(F)(F)F)N.Cl
• IUPAC Name: 2,2,2-trifluoro-1-(oxan-4-yl)ethanamine;hydrochloride
• InChIKey: MBDMWPLGAFDSKZ-UHFFFAOYSA-N
• INCHI: 1S/C7H12F3NO.ClH/c8-7(9,10)6(11)5-1-3-12-4-2-5;/h5-6H,1-4,11H2;1H
• Isomeric SMILES: C1COCCC1C(C(F)(F)F)N.Cl
• Alternate CAS: 2089257-13-4
• PubChem CID: 122714164

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Oxanes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Oxanes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Oxanes
• Alternative Parents: Oxacyclic compounds Dialkyl ethers Organopnictogen compounds Organofluorides Monoalkylamines Hydrochlorides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Oxane - Oxacycle - Ether - Dialkyl ether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Hydrochloride - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Primary aliphatic amine - Alkyl halide - Alkyl fluoride - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as oxanes. These are compounds containing an oxane (tetrahydropyran) ring, which is a six-member saturated aliphatic heterocycle with one oxygen atom and five carbon atoms.
• 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: 219.630 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 219.064 Da
• Monoisotopic Mass: 219.064 Da
• Topological Polar Surface Area: 35.300 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 142.000
• 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: 2

XLogP3