Ethyl imidazole-2-carboxylate - ≥98%(GC) , CAS No.33543-78-1

CAS: 33543-78-1 Cat. No.: E124091 Summenformel: C₆H₈N₂O₂ Molekulargewicht: 140.14 Beilstein Registry Number: 115685 EG-Nummer: 681-997-5

GRADE & PURITY ≥98%(GC)

Synonyms

AM20080883 | EN300-98266 | ethoxyformyl imidazole | 2-Imidazolecarboxylic Acid Ethyl Ester | FT-0626194 | Ethyl1H-imidazole-2-carboxylate | Imidazole, 2-ethoxycarbonyl- | PS-4684 | DTXSID20338498 | MFCD03426031 | AB14751 | 2-ethoxycarbonylimidazole | IMID

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Synonyme

AM20080883 | EN300-98266 | ethoxyformyl imidazole | 2-Imidazolecarboxylic Acid Ethyl Ester | FT-0626194 | Ethyl1H-imidazole-2-carboxylate | Imidazole, 2-ethoxycarbonyl- | PS-4684 | DTXSID20338498 | MFCD03426031 | AB14751 | 2-ethoxycarbonylimidazole | IMID

Spezifikationen & Reinheit

≥98%(GC)

Storage

Room temperature,Argon charged

Verschickt in

Normal

Reinheit

≥98%(GC)

Namen und Kennungen

Pubchem Sid

488190251

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488190251

Kanonisches Lächeln

CCOC(=O)C1=NC=CN1

IUPAC Name

ethyl 1H-imidazole-2-carboxylate

InChIKey

UHYNYIGCGVDBTC-UHFFFAOYSA-N

INCHI

1S/C6H8N2O2/c1-2-10-6(9)5-7-3-4-8-5/h3-4H,2H2,1H3,(H,7,8)

Isomere SMILES

CCOC(=O)C1=NC=CN1

Molekulargewicht

140.14

Beilstein

115685

Reaxy-Rn

115685

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=115685&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Azoles
      • Subclass Imidazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Azoles
• Subclass: Imidazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Imidazoles
• Alternative Parents: Heteroaromatic compounds Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Heteroaromatic compound - Imidazole - Carboxylic acid ester - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as imidazoles. These are compounds containing an imidazole ring, which is an aromatic five-member ring with two nitrogen atoms at positions 1 and 3, and three carbon atoms.
• 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

Zugehörige Ziele (nicht menschlich)

Pseudomonas aeruginosa (123386 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Air Sensitive
• Siedepunkt (°C): 51°C/0.3mmHg
• Schmelzpunkt (°C): 176-178°C
• Molekulargewicht: 140.140 g/mol
• XLogP3: 0.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 140.059 Da
• Monoisotopic Mass: 140.059 Da
• Topological Polar Surface Area: 55.000 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 127.000
• 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