Oxapium iodide - ≥95% , CAS No.6577-41-9

CAS: 6577-41-9 Cat. No.: O1345604 PubChem CID: 168884

GRADE & PURITY ≥95%

Storage

Room temperature

Shipped In

Normal

Specifications

Spezifikationen & Reinheit

≥95%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥95%

Namen und Kennungen

• Kanonisches Lächeln: C[N+]1(CCCCC1)CC2COC(O2)(C3CCCCC3)C4=CC=CC=C4.[I-]
• IUPAC Name: 1-[(2-cyclohexyl-2-phenyl-1,3-dioxolan-4-yl)methyl]-1-methylpiperidin-1-ium;iodide
• InChIKey: YHEWVHONOOWLMW-UHFFFAOYSA-M
• INCHI: 1S/C22H34NO2.HI/c1-23(15-9-4-10-16-23)17-21-18-24-22(25-21,19-11-5-2-6-12-19)20-13-7-3-8-14-20;/h2,5-6,11-12,20-21H,3-4,7-10,13-18H2,1H3;1H/q+1;/p-1
• Isomere SMILES: C[N+]1(CCCCC1)CC2COC(O2)(C3CCCCC3)C4=CC=CC=C4.[I-]
• Alternative CAS-Nummer: 6577-41-9
• PubChem CID: 168884
• MeSH-Eintrag: 2-cyclohexyl-r-2-phenyl-c-4-piperidinomethyl-1,3-dioxolan methiodide;2-cyclohexyl-r-2-phenyl-t-4-piperidinomethyl-1,3-dioxolan methiodide;cyclonium;cyclonium bromide;cyclonium iodide;oxapium iodide

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Klasse Organooxygen compounds
      • Subclass Ethers
        • Ebene5 Acetals
          • Ebene6 Ketals

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Klasse: Organooxygen compounds
• Subclass: Ethers
• Intermediate Tree Nodes: Acetals
• Direct Parent: Ketals
• Alternative Parents: Piperidines Benzene and substituted derivatives Tetraalkylammonium salts 1,3-dioxolanes Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organic iodide salts Hydrocarbon derivatives Amines
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Ketal - Monocyclic benzene moiety - Piperidine - Benzenoid - Meta-dioxolane - Tetraalkylammonium salt - Quaternary ammonium salt - Oxacycle - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organic salt - Organic iodide salt - Hydrocarbon derivative - Organonitrogen compound - Organopnictogen compound - Amine - Aromatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as ketals. These are acetals derived from ketones by replacement of the oxo group by two hydrocarbyloxy groups R2C(OR)2 ( R not Hydrogen ). This term, once abandoned, has been reinstated as a subclass of acetals.
• 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 471.400 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 471.163 Da
• Monoisotopic Mass: 471.163 Da
• Topological Polar Surface Area: 18.500 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 422.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 2
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

XLogP3

Häufig gestellte Fragen

What is the purity of this product?

This product is supplied at ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 6577-41-9. InChIKey YHEWVHONOOWLMW-UHFFFAOYSA-M.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.