Ethyl 4-amino-1H-imidazole-5-carboxylate - ≥98% , CAS No.21190-16-9

CAS: 21190-16-9 Cat. No.: E588105 Peso molecular: 155.16 Número EC: 802-162-5

GRADE & PURITY ≥98%

Synonyms

WAA19016 | Imidazole, 4-amino-5-ethyloxycarbonyl- | FT-0681619 | 4-amino-5-ethoxy-carbonylimidazole | ETHYL 5-AMINOIMIDAZOLE-4-CARBOXYLATE | SR-01000513190-1 | Z1318147494 | 5-amino-4-ethoxycarbonylimidazole | AKOS011050006 | AKOS015854671 | 5-amino-1H-im

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

WAA19016 | Imidazole, 4-amino-5-ethyloxycarbonyl- | FT-0681619 | 4-amino-5-ethoxy-carbonylimidazole | ETHYL 5-AMINOIMIDAZOLE-4-CARBOXYLATE | SR-01000513190-1 | Z1318147494 | 5-amino-4-ethoxycarbonylimidazole | AKOS011050006 | AKOS015854671 | 5-amino-1H-im

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Protected from light, 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

≥98%

Nombres e identificadores

• Pubchem Sid: 504758522
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504758522
• Sonrisas canónicas: CCOC(=O)C1=C(N=CN1)N
• IUPAC Name: ethyl 4-amino-1H-imidazole-5-carboxylate
• InChIKey: NJMORFFDAXJHHM-UHFFFAOYSA-N
• INCHI: 1S/C6H9N3O2/c1-2-11-6(10)4-5(7)9-3-8-4/h3H,2,7H2,1H3,(H,8,9)
• Isómeros SMILES: CCOC(=O)C1=C(N=CN1)N
• CAS alternativo: 21190-16-9
• Número NSC: 382775
• Peso molecular: 155.16
• Reaxy-Rn: 640389
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=640389&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Azoles
      • Subclass Imidazoles
        • Level5 Substituted imidazoles
          • Level6 Carbonylimidazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Azoles
• Subclass: Imidazoles
• Intermediate Tree Nodes: Substituted imidazoles
• Direct Parent: Carbonylimidazoles
• Alternative Parents: Imidolactams Aminoimidazoles Vinylogous amides Heteroaromatic compounds Carboxylic acid esters Amino acids and derivatives Azacyclic compounds Primary amines Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Imidazole-4-carbonyl group - Aminoimidazole - Imidolactam - Vinylogous amide - Heteroaromatic compound - Carboxylic acid ester - Amino acid or derivatives - Azacycle - Carboxylic acid derivative - Amine - Organic oxide - Primary amine - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as carbonylimidazoles. These are substituted imidazoles in which the imidazole ring bears a carbonyl group.
• 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: 155.150 g/mol
• XLogP3: -0.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 155.069 Da
• Monoisotopic Mass: 155.069 Da
• Topological Polar Surface Area: 81.000 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 151.000
• 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