3-Oxo-3-ureidopropanoic acid - ≥98% , CAS No.542-07-4

CAS: 542-07-4 Cat. No.: O952026 Peso molecular: 146.1 PubChem CID: 10290858

GRADE & PURITY ≥98%

Synonyms

3-[(Aminocarbonyl)amino]-3-oxo-propanoic acid, N-Carbamoyl-malonamic acid, (carbamoylcarbamoyl)-acetic acid, [[(Aminocarbonyl)amino]carbonyl]-acetic acid, Allophanoyl-acetic acid, Malonuric acid, (Carboxyacetyl)-urea

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

3-[(Aminocarbonyl)amino]-3-oxo-propanoic acid, N-Carbamoyl-malonamic acid, (carbamoylcarbamoyl)-acetic acid, [[(Aminocarbonyl)amino]carbonyl]-acetic acid, Allophanoyl-acetic acid, Malonuric acid, (Carboxyacetyl)-urea

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

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

• Sonrisas canónicas: C(C(=O)NC(=O)N)C(=O)O
• IUPAC Name: 3-(carbamoylamino)-3-oxopropanoic acid
• InChIKey: UCUUMUFWVSUBOL-UHFFFAOYSA-N
• INCHI: 1S/C4H6N2O4/c5-4(10)6-2(7)1-3(8)9/h1H2,(H,8,9)(H3,5,6,7,10)
• Isómeros SMILES: C(C(=O)NC(=O)N)C(=O)O
• PubChem CID: 10290858
• Peso molecular: 146.1

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Organic carbonic acids and derivatives
      • Subclass Ureas
        • Level5 Ureides
          • Level6 N-acyl ureas

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Organic carbonic acids and derivatives
• Subclass: Ureas
• Intermediate Tree Nodes: Ureides
• Direct Parent: N-acyl ureas
• Alternative Parents: 1,3-dicarbonyl compounds Dicarboximides Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: N-acyl urea - 1,3-dicarbonyl compound - Dicarboximide - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as n-acyl ureas. These are compounds containing an urea bearing a N-acyl group.
• External Descriptors: 3-oxo monocarboxylic acid

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: 146.100 g/mol
• XLogP3: -1.000
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 146.033 Da
• Monoisotopic Mass: 146.033 Da
• Topological Polar Surface Area: 109.000 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 176.000
• 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