Alloxan tetrahydrate - ≥98% , CAS No.6010-91-9

CAS: 6010-91-9 Cat. No.: A113725 Formule: C₄H₂N₂O₄·4H₂O Poids moléculaire: 214.13 Numéro CE: 628-825-7

GRADE & PURITY ≥98%

Synonyms

Alloxan tetrahydrate | SB60522 | Tox21_302662 | 2,4,5,6-Tetraoxypyrimidine tetrahydrate | Pyrimidine-2,4,5,6(1H,3H)-tetraonetetrahydrate | Pyrimidine-2,4,5,6(1H,3H)-tetraone tetrahydrate | AS-57346 | Alloxan tetrahydrate, purum p.a., for the detection of

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonymes

Alloxan tetrahydrate | SB60522 | Tox21_302662 | 2,4,5,6-Tetraoxypyrimidine tetrahydrate | Pyrimidine-2,4,5,6(1H,3H)-tetraonetetrahydrate | Pyrimidine-2,4,5,6(1H,3H)-tetraone tetrahydrate | AS-57346 | Alloxan tetrahydrate, purum p.a., for the detection of

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Store at 2-8°C

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥98%

Noms et identifiants

• Pubchem Sid: 504767063
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504767063
• Sourires canoniques: C1(=O)C(=O)NC(=O)NC1=O.O.O.O.O
• IUPAC Name: 1,3-diazinane-2,4,5,6-tetrone;tetrahydrate
• InChIKey: JJROYYCRHFNFNC-UHFFFAOYSA-N
• INCHI: 1S/C4H2N2O4.4H2O/c7-1-2(8)5-4(10)6-3(1)9;;;;/h(H2,5,6,8,9,10);4*1H2
• Isomères SMILES: C1(=O)C(=O)NC(=O)NC1=O.O.O.O.O
• CAS alternatif: 50-71-5
• Poids moléculaire: 214.13
• Reaxy-Rn: 4573597
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4573597&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Diazines
      • Subclass Pyrimidines and pyrimidine derivatives
        • Level5 Pyrimidones
          • Level6 Barbituric acid derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Diazines
• Subclass: Pyrimidines and pyrimidine derivatives
• Intermediate Tree Nodes: Pyrimidones
• Direct Parent: Barbituric acid derivatives
• Alternative Parents: N-acyl ureas Diazinanes Dicarboximides Cyclic ketones Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Barbiturate - Ureide - N-acyl urea - 1,3-diazinane - Dicarboximide - Ketone - Cyclic ketone - Urea - Carbonic acid derivative - Carboxylic acid derivative - Azacycle - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Carbonyl group - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as barbituric acid derivatives. These are compounds containing a perhydropyrimidine ring substituted at C-2, -4 and -6 by oxo groups.
• 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

Propriétés chimiques et physiques

• Point de fusion (°C): 245°C
• Poids moléculaire: 214.130 g/mol
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 0
• Exact Mass: 214.044 Da
• Monoisotopic Mass: 214.044 Da
• Topological Polar Surface Area: 96.300 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 222.000
• 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: 5

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