Fluoro-N,N,N',N'-bis(tetramethylene)formamidinium hexafluorophosphate - ≥98% , CAS No.164298-25-3

CAS: 164298-25-3 Cat. No.: F293014 Molecular Weight: 316.2 EC Number: 628-489-1 PubChem CID: 10935980

GRADE & PURITY ≥98%

Synonyms

1-[Fluoro(1-pyrrolidinyl)methylene]-1-pyrrolidinium Hexafluorophosphate(V) | 1-(Fluoro(pyrrolidin-1-yl)methylene)pyrrolidin-1-iumhexafluorophosphate(V) | MNJUGQKOHJQOCK-UHFFFAOYSA-N | Fluoro-N,N,N',N'-bis(tetramethylene)formamidinium hexafluorophosphate |

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

1-[Fluoro(1-pyrrolidinyl)methylene]-1-pyrrolidinium Hexafluorophosphate(V) | 1-(Fluoro(pyrrolidin-1-yl)methylene)pyrrolidin-1-iumhexafluorophosphate(V) | MNJUGQKOHJQOCK-UHFFFAOYSA-N | Fluoro-N, N, N', N'-bis(tetramethylene)formamidinium hexafluorophosphate |

Specifications & Purity

≥98%

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

≥98%

Names and Identifiers

• Canonical Smiles: C1CCN(C1)C(=[N+]2CCCC2)F.F[P-](F)(F)(F)(F)F
• IUPAC Name: 1-[fluoro(pyrrolidin-1-ium-1-ylidene)methyl]pyrrolidine;hexafluorophosphate
• InChIKey: MNJUGQKOHJQOCK-UHFFFAOYSA-N
• INCHI: 1S/C9H16FN2.F6P/c10-9(11-5-1-2-6-11)12-7-3-4-8-12;1-7(2,3,4,5)6/h1-8H2;/q+1;-1
• Isomeric SMILES: C1CCN(C1)C(=[N+]2CCCC2)F.F[P-](F)(F)(F)(F)F
• WGK Germany: 3
• PubChem CID: 10935980
• Molecular Weight: 316.2

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Pyrrolidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyrrolidines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrrolidines
• Alternative Parents: Propargyl-type 1,3-dipolar organic compounds Carboximidamides Azacyclic compounds Organofluorides Organic salts Hydrocarbon derivatives Organic cations
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Pyrrolidine - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Organic nitrogen compound - Hydrocarbon derivative - Organic salt - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic cation - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as pyrrolidines. These are compounds containing a pyrrolidine ring, which is a five-membered saturated aliphatic heterocycle with one nitrogen atom and four 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

• Melt Point(°C): 154-160 °C
• Molecular Weight: 316.200 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 1
• Exact Mass: 316.094 Da
• Monoisotopic Mass: 316.094 Da
• Topological Polar Surface Area: 6.300 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 228.000
• 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: 2

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