1-hexadecyl-3-methylimidazol-3-ium,hexafluorophosphate - ≥98% , CAS No.219947-95-2

CAS: 219947-95-2 Cat. No.: H303072 Peso molecular: 452.5 Número EC: 801-433-5 PubChem CID: 50878565

GRADE & PURITY ≥98%

Synonyms

AKOS005145894 | DTXCID8029105 | SY113722 | Tox21_202646 | D80528 | CAS-219947-95-2 | 1-Hexadecyl-3-methylimidazolium hexafluorophosphate | 1-Hexadecyl-3-methyl-3-imidazolium Hexafluorophosphate | AKOS030228353 | Q-102687 | NCGC00260194-01 | 1-Hexadecyl-3-

Storage

Room temperature,Desiccated

Shipped In

Normal

Specifications

Sinónimos

AKOS005145894 | DTXCID8029105 | SY113722 | Tox21_202646 | D80528 | CAS-219947-95-2 | 1-Hexadecyl-3-methylimidazolium hexafluorophosphate | 1-Hexadecyl-3-methyl-3-imidazolium Hexafluorophosphate | AKOS030228353 | Q-102687 | NCGC00260194-01 | 1-Hexadecyl-3-

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature, Desiccated

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488201449
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488201449
• Sonrisas canónicas: CCCCCCCCCCCCCCCCN1C=C[N+](=C1)C.F[P-](F)(F)(F)(F)F
• IUPAC Name: 1-hexadecyl-3-methylimidazol-3-ium;hexafluorophosphate
• InChIKey: DJNNUHQUSQWCRM-UHFFFAOYSA-N
• INCHI: 1S/C20H39N2.F6P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-19-18-21(2)20-22;1-7(2,3,4,5)6/h18-20H,3-17H2,1-2H3;/q+1;-1
• Isómeros SMILES: CCCCCCCCCCCCCCCCN1C=C[N+](=C1)C.F[P-](F)(F)(F)(F)F
• PubChem CID: 50878565
• Peso molecular: 452.5

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Azoles
      • Subclass Imidazoles
        • Level5 Substituted imidazoles
          • Level6 N-substituted imidazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Azoles
• Subclass: Imidazoles
• Intermediate Tree Nodes: Substituted imidazoles
• Direct Parent: N-substituted imidazoles
• Alternative Parents: Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic salts Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: N-substituted imidazole - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organic salt - Organonitrogen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as n-substituted imidazoles. These are heterocyclic compounds containing an imidazole ring substituted at position 1.
• 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

Objetivos asociados (no humanos)

Nakaseomyces glabratus (9108 Activities)

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Candida parapsilosis (8521 Activities)

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Candida tropicalis (8381 Activities)

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Mecanismos de acción

Propiedades químicas y físicas

• Peso molecular: 452.500 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 15
• Exact Mass: 452.276 Da
• Monoisotopic Mass: 452.276 Da
• Topological Polar Surface Area: 8.800 Ų
• Heavy Atom Count: 29
• Formal Charge: 0
• Complexity: 292.000
• 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

Referencias

1. Wang Mengge, Chen Xiaofeng, Wang Zhigang, Li Ming.  (2025)  Confirmation of radicals auto-generated in [Bmim][PF6]/[C16mim][PF6]/water reverse micelles and the radical quantification based on the 1,1-diphenyl-2-picrylhydrazine (DPPHH) spectroscopic probe.  ANALYTICAL SCIENCES,      [PMID:40113732] [10.1007/s44211-025-00744-6]