1,3-Dimethylimidazolium-2-carboxylate - ≥95% , CAS No.536755-29-0

CAS: 536755-29-0 Cat. No.: D404235 Peso molecular: 140.14 Número EC: 626-802-6

GRADE & PURITY ≥95%

Synonyms

1,3-BIS(METHYL)IMIDAZOLIUM-2-CARBOXYLATE | MFCD07636581 | 1,3-dimethylimidazol-1-ium-2-carboxylate | 1,3-Dimethylimidazolium-2-carboxylate, technical grade, >=80% | SCHEMBL1331177 | T71025 | SY010736 | 1,3-DIMETHYLIMIDAZOLIUM-2-CARBOXYLATE | DTXSID0046781

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

1, 3-BIS(METHYL)IMIDAZOLIUM-2-CARBOXYLATE | MFCD07636581 | 1, 3-dimethylimidazol-1-ium-2-carboxylate | 1, 3-Dimethylimidazolium-2-carboxylate, technical grade, >=80% | SCHEMBL1331177 | T71025 | SY010736 | 1, 3-DIMETHYLIMIDAZOLIUM-2-CARBOXYLATE | DTXSID0046781

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Argon charged

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥95%

Nombres e identificadores

• Sonrisas canónicas: CN1C=C[N+](=C1C(=O)[O-])C
• IUPAC Name: 1,3-dimethylimidazol-1-ium-2-carboxylate
• InChIKey: HESZXGSSISDCNI-UHFFFAOYSA-N
• INCHI: 1S/C6H8N2O2/c1-7-3-4-8(2)5(7)6(9)10/h3-4H,1-2H3
• Isómeros SMILES: CN1C=C[N+](=C1C(=O)[O-])C
• Peso molecular: 140.14
• Reaxy-Rn: 9254497
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9254497&ln=

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: Heteroaromatic compounds Carboxylic acid salts Carboxylic acids Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic salts Organic oxides Hydrocarbon derivatives Organic cations
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: N-substituted imidazole - Heteroaromatic compound - Carboxylic acid salt - Azacycle - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic salt - Organooxygen compound - 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

• Solubilidad: Soluble in Methanol
• Sensibilidad: Light Sensitive,Moisture Sensitive,Heat Sensitive
• Punto de fusión (°C): 225 °C
• Peso molecular: 140.140 g/mol
• XLogP3: 0.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 140.059 Da
• Monoisotopic Mass: 140.059 Da
• Topological Polar Surface Area: 48.900 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 133.000
• 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: 1