1-Butylsulfonic acid 3-methylimidazole bisulfate - ≥98% , CAS No.827320-59-2

CAS: 827320-59-2 Cat. No.: S304729 Peso molecular: 316.35 Número EC: 835-409-0 PubChem CID: 11290044

GRADE & PURITY ≥98%

Synonyms

MFCD12761445 | 3-Methyl-1-(4-sulfobutyl)-1H-imidazol-3-ium hydrogensulfate | SY113797 | AKOS016845748 | 1-Methyl-3-(4-sulfobutyl)-1H-imidazol-3-ium Hydrogensulfate | D91613 | 1-butylsulfonic-3-methylimidazolium hydrogensulfate | 1-butylsulfonic-3-methylim

Storage

Room temperature,Argon charged,Desiccated

Shipped In

Normal

Specifications

Sinónimos

MFCD12761445 | 3-Methyl-1-(4-sulfobutyl)-1H-imidazol-3-ium hydrogensulfate | SY113797 | AKOS016845748 | 1-Methyl-3-(4-sulfobutyl)-1H-imidazol-3-ium Hydrogensulfate | D91613 | 1-butylsulfonic-3-methylimidazolium hydrogensulfate | 1-butylsulfonic-3-methylim

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature, Argon charged, Desiccated

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504766255
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504766255
• Sonrisas canónicas: C[N+]1=CN(C=C1)CCCCS(=O)(=O)O.OS(=O)(=O)[O-]
• IUPAC Name: hydrogen sulfate;4-(3-methylimidazol-3-ium-1-yl)butane-1-sulfonic acid
• InChIKey: IEKJIBPFXKAASL-UHFFFAOYSA-N
• INCHI: 1S/C8H14N2O3S.H2O4S/c1-9-5-6-10(8-9)4-2-3-7-14(11,12)13;1-5(2,3)4/h5-6,8H,2-4,7H2,1H3;(H2,1,2,3,4)
• Isómeros SMILES: C[N+]1=CN(C=C1)CCCCS(=O)(=O)O.OS(=O)(=O)[O-]
• PubChem CID: 11290044
• Peso molecular: 316.35

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: Sulfonyls Organosulfonic acids Organic sulfuric acids and derivatives Heteroaromatic compounds Alkanesulfonic acids Azacyclic compounds Organonitrogen compounds Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: N-substituted imidazole - Organic sulfuric acid or derivatives - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Alkanesulfonic acid - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organosulfur compound - Organonitrogen compound - Organic zwitterion - Organic salt - Hydrocarbon derivative - Organic oxide - Organic oxygen 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

Propiedades químicas y físicas

• Sensibilidad: Hygroscopic
• Índice de refracción: 1.5
• Peso molecular: 316.400 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 5
• Exact Mass: 316.04 Da
• Monoisotopic Mass: 316.04 Da
• Topological Polar Surface Area: 157.000 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 336.000
• 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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