1-Methyl-1-propylpiperidinium Bis(fluorosulfonyl)imide - ≥98% , CAS No.911303-46-3

CAS: 911303-46-3 Cat. No.: M404684 Molecular Weight: 322.39 EC Number: 834-019-8

GRADE & PURITY ≥98%

Synonyms

T73061 | Piperidinium, 1-methyl-1-propyl-, salt with imidodisulfuryl fluoride (1:1) | bis(fluorosulfonyl)azanide;1-methyl-1-propyl-piperidin-1-ium | AKOS040767155 | XQA5347UY8 | 1-Methyl-1-propylpiperidiniumbis(fluorosulfonyl)imide | N-Propyl-N-methylpipe

Storage

Argon charged,Room temperature

Specifications

Synonyms

T73061 | Piperidinium, 1-methyl-1-propyl-, salt with imidodisulfuryl fluoride (1:1) | bis(fluorosulfonyl)azanide;1-methyl-1-propyl-piperidin-1-ium | AKOS040767155 | XQA5347UY8 | 1-Methyl-1-propylpiperidiniumbis(fluorosulfonyl)imide | N-Propyl-N-methylpipe

Specifications & Purity

≥98%

Storage

Argon charged, Room temperature

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488202677
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488202677
• Canonical Smiles: CCC[N+]1(CCCCC1)C.[N-](S(=O)(=O)F)S(=O)(=O)F
• IUPAC Name: bis(fluorosulfonyl)azanide;1-methyl-1-propylpiperidin-1-ium
• InChIKey: BGMNWBQPCOEGHI-UHFFFAOYSA-N
• INCHI: 1S/C9H20N.F2NO4S2/c1-3-7-10(2)8-5-4-6-9-10;1-8(4,5)3-9(2,6)7/h3-9H2,1-2H3;/q+1;-1
• Isomeric SMILES: CCC[N+]1(CCCCC1)C.[N-](S(=O)(=O)F)S(=O)(=O)F
• Molecular Weight: 322.39
• Reaxy-Rn: 20964899
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=20964899&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Piperidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Piperidines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Piperidines
• Alternative Parents: Tetraalkylammonium salts Azacyclic compounds Organopnictogen compounds Organic salts Organic oxides Hydrocarbon derivatives Amines
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Piperidine - Tetraalkylammonium salt - Quaternary ammonium salt - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic salt - Organonitrogen compound - Amine - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as piperidines. These are compounds containing a piperidine ring, which is a saturated aliphatic six-member ring with one nitrogen 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

• Sensitivity: Hygroscopic
• Refractive Index: 1.45
• Molecular Weight: 322.400 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 4
• Exact Mass: 322.083 Da
• Monoisotopic Mass: 322.083 Da
• Topological Polar Surface Area: 86.000 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 324.000
• 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

XLogP3