2,2-difluorocyclopentan-1-amine hydrochloride - ≥97% , CAS No.921599-70-4

CAS: 921599-70-4 Cat. No.: D680227 Molecular Weight: 157.59 EC Number: 815-342-3 PubChem CID: 71656097

GRADE & PURITY ≥97%

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

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: C1CC(C(C1)(F)F)N.Cl
• InChIKey: NKKPWPHIGLLMRF-UHFFFAOYSA-N
• INCHI: 1S/C5H9F2N.ClH/c6-5(7)3-1-2-4(5)8;/h4H,1-3,8H2;1H
• Isomeric SMILES: C1CC(C(C1)(F)F)N.Cl
• PubChem CID: 71656097
• Molecular Weight: 157.59

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Class Organonitrogen compounds
      • Subclass Quaternary ammonium salts

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Class: Organonitrogen compounds
• Subclass: Quaternary ammonium salts
• Intermediate Tree Nodes: Not available
• Direct Parent: Quaternary ammonium salts
• Alternative Parents: Organofluorides Organic chloride salts Monoalkylamines Hydrocarbon derivatives Alkyl fluorides Organic cations
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Quaternary ammonium salt - Hydrocarbon derivative - Organic chloride salt - Organic salt - Primary amine - Organofluoride - Organohalogen compound - Primary aliphatic amine - Amine - Alkyl halide - Alkyl fluoride - Organic cation - Aliphatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as quaternary ammonium salts. These are compounds containing positively charged polyatomic ion of the structure NR4+, R being an alkyl group or an aryl 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: 157.590 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 157.047 Da
• Monoisotopic Mass: 157.047 Da
• Topological Polar Surface Area: 26.000 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 92.400
• 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

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