2-amino-1,3-oxazole-4-carboxylic acid - ≥97% , CAS No.944900-52-1

CAS: 944900-52-1 Cat. No.: A178415 Peso molecular: 128.09

GRADE & PURITY ≥97%

Synonyms

SCHEMBL1816453 | 2-Amino-oxazole-4-carboxylic acid | 2-Aminooxazole-4-carboxylic acid | DTXSID80620740 | AKOS006313289 | 2-amino-1,3-oxazole-4-carboxylicacid | 2-Amino-1,3-oxazole-4-carboxylic acid | PB31410 | HLHGBUDVJAFBRN-UHFFFAOYSA-N | MFCD09864918

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

SCHEMBL1816453 | 2-Amino-oxazole-4-carboxylic acid | 2-Aminooxazole-4-carboxylic acid | DTXSID80620740 | AKOS006313289 | 2-amino-1, 3-oxazole-4-carboxylicacid | 2-Amino-1, 3-oxazole-4-carboxylic acid | PB31410 | HLHGBUDVJAFBRN-UHFFFAOYSA-N | MFCD09864918

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: C1=C(N=C(O1)N)C(=O)O
• IUPAC Name: 2-amino-1,3-oxazole-4-carboxylic acid
• InChIKey: HLHGBUDVJAFBRN-UHFFFAOYSA-N
• INCHI: 1S/C4H4N2O3/c5-4-6-2(1-9-4)3(7)8/h1H,(H2,5,6)(H,7,8)
• Isómeros SMILES: C1=C(N=C(O1)N)C(=O)O
• Peso molecular: 128.09
• Reaxy-Rn: 30814716
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=30814716&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 Amino acids Oxacyclic compounds Carboxylic acids Azacyclic compounds Primary amines Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2,4-disubstituted 1,3-oxazole - Heteroaromatic compound - Amino acid or derivatives - Amino acid - Carboxylic acid derivative - Carboxylic acid - Oxacycle - Azacycle - Organic nitrogen compound - Primary amine - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - 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: 128.090 g/mol
• XLogP3: -0.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 128.022 Da
• Monoisotopic Mass: 128.022 Da
• Topological Polar Surface Area: 89.400 Ų
• Heavy Atom Count: 9
• 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