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

CAS: 932-52-5 Cat. No.: A119337 Formula: C₄H₅N₃O₂ Peso molecolare: 127.1 Beilstein Registry Number: 127250 Numero EC: 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-diidrossipirimidina | EN300-95642 | Z276550526 | 5-Aminouracile 98% | DB03792 | 2,4(1H,3H)-Pirimidinedione, 5-amino- | AKOS001603829 | F16509 | WBU | UNII-R2O7EKY9G9 | 5-amino uracile

Storage

Room temperature

Shipped In

Normale

Specifications

Sinonimi

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

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normale

Purezza

≥98%

Nomi e identificatori

Pubchem Sid

488181876

Pubchem Sid Url

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

Sorrisi canonici

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)

Isomeri SMILES

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

WGK Germania

3

RTECS

YQ8740000

Peso molecolare

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
• Descrizione: 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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Punto di fusione (°C): >300°C
• Peso molecolare: 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

Domande frequenti

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.