2-(1H-imidazol-4-il)acetato de sodio - ≥95% , CAS No.56368-58-2

CAS: 56368-58-2 Cat. No.: B301304 Peso molecular: 148.1 Número EC: 624-722-6 PubChem CID: 23692664

GRADE & PURITY ≥95%

Synonyms

Acetato de 2-(1H-imidazol-5-il)sodio | Ácido 1-imidazol-4-acético, sal monosódica | JDDRCOTZMQIPOQ-UHFFFAOYSA-M | Acetato 4-imidazol de sodio | FT-0766877 | I4AA | AS-83101 | Acetato 2-(1H-4-imidazolil)sódico | 2-(1H-4-imidazolil)sódico

Storage

Conservar a 2-8°C

Shipped In

Hielo húmedo

Specifications

Sinónimos

Acetato de 2-(1H-imidazol-5-il)sodio | Ácido 1-imidazol-4-acético, sal monosódica | JDDRCOTZMQIPOQ-UHFFFAOYSA-M | Acetato 4-imidazol de sodio | FT-0766877 | I4AA | AS-83101 | Acetato 2-(1H-4-imidazolil)sódico | 2-(1H-4-imidazolil)sódico

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Conservar a 2-8°C

Enviado en

Hielo húmedo

Pureza

≥95%

Nombres e identificadores

• Pubchem Sid: 504769679
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504769679
• Sonrisas canónicas: C1=C(NC=N1)CC(=O)[O-].[Na+]
• IUPAC Name: sodium;2-(1H-imidazol-5-yl)acetate
• InChIKey: JDDRCOTZMQIPOQ-UHFFFAOYSA-M
• INCHI: 1S/C5H6N2O2.Na/c8-5(9)1-4-2-6-3-7-4;/h2-3H,1H2,(H,6,7)(H,8,9);/q;+1/p-1
• Isómeros SMILES: C1=C(NC=N1)CC(=O)[O-].[Na+]
• PubChem CID: 23692664
• Peso molecular: 148.1

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Azoles
      • Subclass Imidazoles
        • Level5 Substituted imidazoles
          • Level6 Imidazolyl carboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Azoles
• Subclass: Imidazoles
• Intermediate Tree Nodes: Substituted imidazoles
• Direct Parent: Imidazolyl carboxylic acids and derivatives
• Alternative Parents: Heteroaromatic compounds Carboxylic acid salts Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organonitrogen compounds Organic zwitterions Organic sodium salts Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Imidazolyl carboxylic acid derivative - Heteroaromatic compound - Carboxylic acid salt - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic alkali metal salt - Azacycle - Organic salt - Organic zwitterion - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic sodium salt - Organic nitrogen compound - Carbonyl group - Organic oxide - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as imidazolyl carboxylic acids and derivatives. These are organic compounds containing a carboxylic acid chain (of at least 2 carbon atoms) linked to an imidazole ring.
• 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: 148.100 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 148.025 Da
• Monoisotopic Mass: 148.025 Da
• Topological Polar Surface Area: 68.800 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 120.000
• 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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