1-Methylimidazole Hydrobromide - ≥98% , CAS No.101023-58-9

CAS: 101023-58-9 Cat. No.: M404737 Formule: C₄H₆N₂•HBr Poids moléculaire: 163.02 Numéro CE: 801-389-7

GRADE & PURITY ≥98%

Synonyms

D91624 | UNII-RHH9N0SJ73 | 1H-Imidazole, 1-methyl-, monohydrobromide | 1-methylimidazole;hydrobromide | M3212 | 1-Methylimidazole Hydrobromide | 1-methylimidazolium bromide | RHH9N0SJ73 | 1H-Imidazole, 1-methyl-, hydrobromide (1:1) | SCHEMBL23044728 | N-M

Storage

Argon charged,Room temperature

Specifications

Synonymes

D91624 | UNII-RHH9N0SJ73 | 1H-Imidazole, 1-methyl-, monohydrobromide | 1-methylimidazole;hydrobromide | M3212 | 1-Methylimidazole Hydrobromide | 1-methylimidazolium bromide | RHH9N0SJ73 | 1H-Imidazole, 1-methyl-, hydrobromide (1:1) | SCHEMBL23044728 | N-M

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Argon charged,Room temperature

Pureté

≥98%

Noms et identifiants

Pubchem Sid

528754667

Sourires canoniques

CN1C=CN=C1.Br

IUPAC Name

1-methylimidazole;hydrobromide

InChIKey

OOKUTCYPKPJYFV-UHFFFAOYSA-N

INCHI

1S/C4H6N2.BrH/c1-6-3-2-5-4-6;/h2-4H,1H3;1H

Isomères SMILES

CN1C=CN=C1.Br

Poids moléculaire

163.02

Reaxy-Rn

7486685

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7486685&ln=

Taxonomic Classification

Taxonomy Tree

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

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

Propriétés chimiques et physiques

• Solubilité: Soluble in water
• Sensibilité: Hygroscopic
• Poids moléculaire: 163.020 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 161.979 Da
• Monoisotopic Mass: 161.979 Da
• Topological Polar Surface Area: 17.800 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 44.800
• 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