2-aminooxazol-4-carboxilato de etilo - ≥95% , CAS No.177760-52-0

CAS: 177760-52-0 Cat. No.: E132804 Peso molecular: 156.14 Número EC: 672-912-2

GRADE & PURITY ≥95%

Synonyms

2-AMINO-4-OXAZOLECARBOXYLIC ACID ETHYL ESTER | ethyl 2-amino-1,3-oxazole-4-carboxylate | Ethyl 2-aminooxazole-4-carboxylate, 95% | 2-aminooxazol-4-carboxylic acid ethylester | SCHEMBL23727298 | W-206248 | NBABLVASYFPOEV-UHFFFAOYSA-N | DTXSID00312892 | SY0

Storage

Conservar a 2-8°C

Shipped In

Hielo húmedo

Specifications

Sinónimos

2-AMINO-4-OXAZOLECARBOXYLIC ACID ETHYL ESTER | ethyl 2-amino-1, 3-oxazole-4-carboxylate | Ethyl 2-aminooxazole-4-carboxylate, 95% | 2-aminooxazol-4-carboxylic acid ethylester | SCHEMBL23727298 | W-206248 | NBABLVASYFPOEV-UHFFFAOYSA-N | DTXSID00312892 | SY0

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: 488189481
• Sonrisas canónicas: CCOC(=O)C1=COC(=N1)N
• IUPAC Name: ethyl 2-amino-1,3-oxazole-4-carboxylate
• InChIKey: NBABLVASYFPOEV-UHFFFAOYSA-N
• INCHI: 1S/C6H8N2O3/c1-2-10-5(9)4-3-11-6(7)8-4/h3H,2H2,1H3,(H2,7,8)
• Isómeros SMILES: CCOC(=O)C1=COC(=N1)N
• WGK Alemania: 3
• Peso molecular: 156.14
• Reaxy-Rn: 3940784
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3940784&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Azoles
      • Subclass Oxazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Azoles
• Subclass: Oxazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: 2,4-disubstituted oxazoles
• Alternative Parents: Heteroaromatic compounds Carboxylic acid esters Amino acids and derivatives Oxacyclic compounds Monocarboxylic acids and derivatives Azacyclic compounds Primary amines Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2,4-disubstituted 1,3-oxazole - Heteroaromatic compound - Amino acid or derivatives - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Oxacycle - Azacycle - Organic nitrogen compound - Primary amine - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Amine - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as 2,4-disubstituted oxazoles. These are compounds containing an oxazole ring substituted at positions 2 and 4 only. Oxazole is a five-membered aromatic heterocycle with one oxygen, one nitrogen, and three carbon atoms. Isomers include 1,2-oxazole and 1,3-oxazole.
• 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: 156.140 g/mol
• XLogP3: 0.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 156.053 Da
• Monoisotopic Mass: 156.053 Da
• Topological Polar Surface Area: 78.400 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