5-Aminouracil - ≥98% , CAS No.932-52-5

CAS: 932-52-5 Cat. No.: A119337 Fórmula: C₄H₅N₃O₂ Peso molecular: 127.1 Beilstein Registry Number: 127250 Número CE: 213-252-3

GRADE & PURITY ≥98%

Synonyms

InChI=1/C4H5N3O2/c5-2-1-6-4(9)7-3(2)8/h1H,5H2,(H2,6,7,8,9 | 5-Amino-2,4-dihydroxypyrimidine | EN300-95642 | Z276550526 | 5-Aminouracil, 98% | DB03792 | 2,4(1H,3H)-Pyrimidinedione, 5-amino- | AKOS001603829 | F16509 | WBU | UNII-R2O7EKY9G9 | 5-amino uracil

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

InChI=1/C4H5N3O2/c5-2-1-6-4(9)7-3(2)8/h1H,5H2,(H2,6,7,8,9 | 5-Amino-2,4-dihydroxypyrimidine | EN300-95642 | Z276550526 | 5-Aminouracil, 98% | DB03792 | 2,4(1H,3H)-Pyrimidinedione, 5-amino- | AKOS001603829 | F16509 | WBU | UNII-R2O7EKY9G9 | 5-amino uracil

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥98%

Nomes e identificadores

Pubchem Sid

488181876

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488181876

Sorrisos canónicos

C1=C(C(=O)NC(=O)N1)N

IUPAC Name

5-amino-1H-pyrimidine-2,4-dione

InChIKey

BISHACNKZIBDFM-UHFFFAOYSA-N

INCHI

1S/C4H5N3O2/c5-2-1-6-4(9)7-3(2)8/h1H,5H2,(H2,6,7,8,9)

SMILES isoméricas

C1=C(C(=O)NC(=O)N1)N

WGK Alemanha

3

RTECS

YQ8740000

Peso molecular

127.1

Beilstein

127250

Reaxy-Rn

127250

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=127250&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Diazines
      • Subclass Pyrimidines and pyrimidine derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Diazines
• Subclass: Pyrimidines and pyrimidine derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrimidones
• Alternative Parents: Aminopyrimidines and derivatives Hydropyrimidines Vinylogous amides Heteroaromatic compounds Ureas Lactams Azacyclic compounds Primary amines Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aminopyrimidine - Pyrimidone - Hydropyrimidine - Vinylogous amide - Heteroaromatic compound - Lactam - Urea - Azacycle - Organic oxide - Organic nitrogen compound - Organopnictogen compound - Primary amine - Organooxygen compound - Organonitrogen compound - Amine - Organic oxygen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as pyrimidones. These are compounds that contain a pyrimidine ring, which bears a ketone. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions.
• External Descriptors: aminouracil

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

Mecanismos de ação

Propriedades químicas e físicas

• Ponto de fusão (°C): >300°C
• Peso molecular: 127.100 g/mol
• XLogP3: -1.500
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 127.038 Da
• Monoisotopic Mass: 127.038 Da
• Topological Polar Surface Area: 84.200 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 196.000
• 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

Perguntas frequentes

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

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

The CAS Number is 932-52-5, the molecular formula is C4H5N3O2, and the molecular weight is 127.1 g/mol. InChIKey BISHACNKZIBDFM-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.