4,6-Dihydroxypyrimidine - ≥99% , CAS No.1193-24-4

CAS: 1193-24-4 Cat. No.: D111105 Fórmula: C₄H₄N₂O₂ Peso molecular: 112.09 Beilstein Registry Number: 112224 Número CE: 214-772-3

GRADE & PURITY ≥99%

Synonyms

BCP00979 | 6-Hydroxy-4-pyrimidinone | MLS000774924 | HY-W015902 | InChI=1/C4H4N2O2/c7-3-1-4(8)6-2-5-3/h1-2H,(H2,5,6,7,8) | EINECS 214-772-3 | SCHEMBL152294 | EC 214-772-3 | HYDROXY-4(1H)-PYRIMIDINONE, 6- | 4(3H)-Pyrimidinone, 6-hydroxy- | 4,6-Dihydroxypyr

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

BCP00979 | 6-Hydroxy-4-pyrimidinone | MLS000774924 | HY-W015902 | InChI=1/C4H4N2O2/c7-3-1-4(8)6-2-5-3/h1-2H,(H2,5,6,7,8) | EINECS 214-772-3 | SCHEMBL152294 | EC 214-772-3 | HYDROXY-4(1H)-PYRIMIDINONE, 6- | 4(3H)-Pyrimidinone, 6-hydroxy- | 4,6-Dihydroxypyr

Especificações e pureza

≥99%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥99%

Nomes e identificadores

Pubchem Sid

488181998

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488181998

Sorrisos canónicos

C1=C(N=CNC1=O)O

IUPAC Name

4-hydroxy-1H-pyrimidin-6-one

InChIKey

DUFGYCAXVIUXIP-UHFFFAOYSA-N

INCHI

1S/C4H4N2O2/c7-3-1-4(8)6-2-5-3/h1-2H,(H2,5,6,7,8)

SMILES isoméricas

C1=C(N=CNC1=O)O

WGK Alemanha

1

RTECS

UW7523000

Peso molecular

112.09

Beilstein

112224

Reaxy-Rn

878560

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=878560&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: Hydroxypyrimidines
• Alternative Parents: Pyrimidones Hydropyrimidines Vinylogous acids Heteroaromatic compounds Lactams Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Hydroxypyrimidine - Pyrimidone - Hydropyrimidine - Heteroaromatic compound - Vinylogous acid - Lactam - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as hydroxypyrimidines. These are organic compounds containing a hydroxyl group attached to a pyrimidine ring. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions.
• 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

Mecanismos de ação

Propriedades químicas e físicas

• Ponto de fusão (°C): 338°C
• Peso molecular: 112.090 g/mol
• XLogP3: -0.900
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 112.027 Da
• Monoisotopic Mass: 112.027 Da
• Topological Polar Surface Area: 61.700 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 171.000
• 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 are the CAS number, molecular formula and molecular weight?

The CAS Number is 1193-24-4, the molecular formula is C4H4N2O2, and the molecular weight is 112.09 g/mol. InChIKey DUFGYCAXVIUXIP-UHFFFAOYSA-N.

What is the purity of this product?

This product is supplied at ≥99% 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 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.