1-Ethyl-2,3-dimethylimidazolium bromide - ≥99% , CAS No.98892-76-3

CAS: 98892-76-3 Cat. No.: E189240 Summenformel: C₇H₁₃BrN₂ Molekulargewicht: 205.1 EG-Nummer: 801-414-1

GRADE & PURITY ≥99%

Synonyms

A858508 | 1H-Imidazolium, 1-ethyl-2,3-dimethyl-, bromide | C7H13BrN2 | YDA89276 | 1-ETHYL-2,3-DIMETHYLIMIDAZOLIUM BROMIDE | 1-ethyl-2,3-dimethyl-imidazolium bromide | 1-ethyl-2,3-dimethyl-1H-imidazol-3-ium bromide | BS-18027 | 1-ethyl-2,3-dimethylimidazol

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Synonyme

A858508 | 1H-Imidazolium, 1-ethyl-2,3-dimethyl-, bromide | C7H13BrN2 | YDA89276 | 1-ETHYL-2,3-DIMETHYLIMIDAZOLIUM BROMIDE | 1-ethyl-2,3-dimethyl-imidazolium bromide | 1-ethyl-2,3-dimethyl-1H-imidazol-3-ium bromide | BS-18027 | 1-ethyl-2,3-dimethylimidazol

Spezifikationen & Reinheit

≥99%

Storage

Room temperature,Argon charged

Verschickt in

Normal

Reinheit

≥99%

Namen und Kennungen

• Pubchem Sid: 488192513
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488192513
• Kanonisches Lächeln: CCN1C=C[N+](=C1C)C.[Br-]
• IUPAC Name: 1-ethyl-2,3-dimethylimidazol-3-ium;bromide
• InChIKey: GITMVCYKHULLDM-UHFFFAOYSA-M
• INCHI: 1S/C7H13N2.BrH/c1-4-9-6-5-8(3)7(9)2;/h5-6H,4H2,1-3H3;1H/q+1;/p-1
• Isomere SMILES: CCN1C=C[N+](=C1C)C.[Br-]
• Molekulargewicht: 205.1
• Reaxy-Rn: 8644708
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8644708&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Azoles
      • Subclass Imidazoles
        • Ebene5 Substituted imidazoles
          • Ebene6 N-substituted imidazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Azoles
• Subclass: Imidazoles
• Intermediate Tree Nodes: Substituted imidazoles
• Direct Parent: N-substituted imidazoles
• Alternative Parents: Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic bromide salts Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: N-substituted imidazole - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organic bromide salt - Organic salt - Organonitrogen compound - Aromatic heteromonocyclic compound
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 205.100 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 204.026 Da
• Monoisotopic Mass: 204.026 Da
• Topological Polar Surface Area: 8.800 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 92.900
• 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