5-Azoniaspiro[4.4]nonane Tetrafluoroborate - ≥98% , CAS No.129211-47-8

CAS: 129211-47-8 Cat. No.: A405628 Molecular Weight: 213.03 EC Number: 603-322-5 PubChem CID: 17822897

GRADE & PURITY ≥98%

Synonyms

5-azoniaspiro[4.4]nonane tetrafluoroborate | DTXSID401026423 | 5-azoniaspiro[4.4]nonane;tetrafluoroborate | F16216 | SCHEMBL557389 | MFCD30471511 | 5-Azaspiro[4.4]nonan-5-ium tetrafluoroborate | spirobipyrrolidinium tetrafluoroborate | 5-Azaspiro[4.4]nona

Storage

Protected from light,Room temperature,Argon charged,Desiccated

Shipped In

Normal

Specifications

Synonyms

5-azoniaspiro[4.4]nonane tetrafluoroborate | DTXSID401026423 | 5-azoniaspiro[4.4]nonane;tetrafluoroborate | F16216 | SCHEMBL557389 | MFCD30471511 | 5-Azaspiro[4.4]nonan-5-ium tetrafluoroborate | spirobipyrrolidinium tetrafluoroborate | 5-Azaspiro[4.4]nona

Specifications & Purity

≥98%

Storage

Protected from light, Room temperature, Argon charged, Desiccated

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Canonical Smiles: [B-](F)(F)(F)F.C1CC[N+]2(C1)CCCC2
• IUPAC Name: 5-azoniaspiro[4.4]nonane;tetrafluoroborate
• InChIKey: JOBDDXCMKDLDHY-UHFFFAOYSA-N
• INCHI: 1S/C8H16N.BF4/c1-2-6-9(5-1)7-3-4-8-9;2-1(3,4)5/h1-8H2;/q+1;-1
• Isomeric SMILES: [B-](F)(F)(F)F.C1CC[N+]2(C1)CCCC2
• PubChem CID: 17822897
• UN Number: 1759
• Packing Group: III
• Molecular Weight: 213.03
• Reaxy-Rn: 12834962

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Pyrrolidines
      • Subclass N-alkylpyrrolidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyrrolidines
• Subclass: N-alkylpyrrolidines
• Intermediate Tree Nodes: Not available
• Direct Parent: N-alkylpyrrolidines
• Alternative Parents: Tetraalkylammonium salts Organic metalloid salts Azacyclic compounds Hydrocarbon derivatives Amines Organic cations
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: N-alkylpyrrolidine - Tetraalkylammonium salt - Quaternary ammonium salt - Azacycle - Organic metalloid salt - Organic nitrogen compound - Hydrocarbon derivative - Organic salt - Organonitrogen compound - Amine - Organic cation - Aliphatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as n-alkylpyrrolidines. These are compounds containing a pyrrolidine moiety that is substituted at the N1-position with an alkyl group. Pyrrolidine 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

• Solubility: Soluble in water
• Sensitivity: Hygroscopic
• Melt Point(°C): 190 °C
• Molecular Weight: 213.030 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 213.131 Da
• Monoisotopic Mass: 213.131 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 98.700
• 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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