Uramil - ≥95% , CAS No.118-78-5

CAS: 118-78-5 Cat. No.: U162916 分子式: C₄H₅N₃O₃ 分子量: 143.10 EC番号: 204-277-0

GRADE & PURITY ≥95%

Synonyms

5-amino-1,3-diazinane-2,4,6-trione | NSC3971 | 5-Amino-2,4,6-pyrimidinetriol | Uramil | Murexan | 3QDD44YV7R | Dialuramide | 5-Aminobarbituric acid | Barbituric acid, 5-amino- | 5-Aminopyrimidine-2,4,6(1H,3H,5H)-trione | 5-Amino-2,4,6-trihydroxypyrimidine

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

同義語

5-amino-1,3-diazinane-2,4,6-trione | NSC3971 | 5-Amino-2,4,6-pyrimidinetriol | Uramil | Murexan | 3QDD44YV7R | Dialuramide | 5-Aminobarbituric acid | Barbituric acid, 5-amino- | 5-Aminopyrimidine-2,4,6(1H,3H,5H)-trione | 5-Amino-2,4,6-trihydroxypyrimidine

仕様と純度

≥95%

保管条件

Store at 2-8°C,Argon charged

入荷

Wet ice

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥95%

名前と識別子

カノニカル・スマイル

C1(C(=O)NC(=O)NC1=O)N

IUPAC Name

5-amino-1,3-diazinane-2,4,6-trione

InChIKey

PSQZLWHRJMYZHD-UHFFFAOYSA-N

INCHI

1S/C4H5N3O3/c5-1-2(8)6-4(10)7-3(1)9/h1H,5H2,(H2,6,7,8,9,10)

異性体SMILES

C1(C(=O)NC(=O)NC1=O)N

分子量

143.10

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • 分類 Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• 分類: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives
• Direct Parent: Alpha amino acids and derivatives
• Alternative Parents: Barbituric acid derivatives N-acyl ureas Diazinanes 1,3-dicarbonyl compounds Dicarboximides Azacyclic compounds Organopnictogen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Alpha-amino acid or derivatives - Barbiturate - N-acyl urea - Ureide - Pyrimidone - 1,3-diazinane - Pyrimidine - 1,3-dicarbonyl compound - Dicarboximide - Carbonic acid derivative - Urea - Azacycle - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Primary aliphatic amine - Organic oxide - Organopnictogen compound - Carbonyl group - Organic oxygen compound - Amine - Primary amine - Organic nitrogen compound - Aliphatic heteromonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.
• 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

作用メカニズム

化学的性質と物理的性質

• 感度: Moisture sensitive
• 分子量: 143.100 g/mol
• XLogP3: -2.100
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 143.033 Da
• Monoisotopic Mass: 143.033 Da
• Topological Polar Surface Area: 101.000 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 192.000
• 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

よくある質問

What is the purity of this product?

This product is supplied at ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 118-78-5, the molecular formula is C4H5N3O3, and the molecular weight is 143.10 g/mol. InChIKey PSQZLWHRJMYZHD-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.