1-Butyl-3-methylimidazolium perchlorate - ≥99% , CAS No.220956-35-4

CAS: 220956-35-4 Cat. No.: B770358 Peso molecular: 238.67 PubChem CID: 71463766

GRADE & PURITY ≥99%

Synonyms

3-Butyl-1-methyl-1H-imidazol-3-ium perchlorate

Storage

Room temperature,Desiccated

Shipped In

Normal

Specifications

Sinónimos

3-Butyl-1-methyl-1H-imidazol-3-ium perchlorate

Especificaciones y pureza

≥99%

Condiciones de almacenamiento de almacenamiento

Room temperature, Desiccated

Enviado en

Normal

Pureza

≥99%

Nombres e identificadores

• Sonrisas canónicas: CCCCN1C=C[N+](=C1)C.[O-]Cl(=O)(=O)=O
• IUPAC Name: 1-butyl-3-methylimidazol-3-ium;perchlorate
• InChIKey: OPGGSNAFGYWGCT-UHFFFAOYSA-M
• INCHI: 1S/C8H15N2.ClHO4/c1-3-4-5-10-7-6-9(2)8-10;2-1(3,4)5/h6-8H,3-5H2,1-2H3;(H,2,3,4,5)/q+1;/p-1
• Isómeros SMILES: CCCCN1C=C[N+](=C1)C.[O-]Cl(=O)(=O)=O
• PubChem CID: 71463766
• Peso molecular: 238.67

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: Organic perchlorates Organic perchlorate salts Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Organic cations
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Organic perchlorate salt - Organic perchlorate - N-substituted imidazole - Heteroaromatic compound - Organic chlorate - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic salt - Organonitrogen compound - Organic cation - 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

Propiedades químicas y físicas

• Peso molecular: 238.670 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 238.072 Da
• Monoisotopic Mass: 238.072 Da
• Topological Polar Surface Area: 83.100 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 189.000
• 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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