Glycoluril - ≥98% , CAS No.496-46-8

CAS: 496-46-8 Cat. No.: G113447 Fórmula: C₄H₆N₄O₂ Peso molecular: 142.12 Beilstein Registry Number: 128826 Número CE: 207-821-5

GRADE & PURITY ≥98%

Synonyms

Acetyleneurea;Acetylenediureine; | Tetrahydroimidaz[d]imidazole-2,3H)-dione | ACETYLENEUREA [MI] | EINECS 207-821-5 | Tox21_301392 | J-640156 | octahydroimidazo[4,5-d]imidazolidine-2,5-dione | STK744419 | DB03533 | UNII-U9H2W4OS13 | tetrahydroimidazo[4,5-

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

Acetyleneurea;Acetylenediureine; | Tetrahydroimidaz[d]imidazole-2,3H)-dione | ACETYLENEUREA [MI] | EINECS 207-821-5 | Tox21_301392 | J-640156 | octahydroimidazo[4,5-d]imidazolidine-2,5-dione | STK744419 | DB03533 | UNII-U9H2W4OS13 | tetrahydroimidazo[4,5-

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥98%

Nomes e identificadores

Pubchem Sid

488183565

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488183565

Sorrisos canónicos

C12C(NC(=O)N1)NC(=O)N2

IUPAC Name

1,3,3a,4,6,6a-hexahydroimidazo[4,5-d]imidazole-2,5-dione

InChIKey

VPVSTMAPERLKKM-UHFFFAOYSA-N

INCHI

1S/C4H6N4O2/c9-3-5-1-2(7-3)8-4(10)6-1/h1-2H,(H2,5,7,9)(H2,6,8,10)

SMILES isoméricas

C12C(NC(=O)N1)NC(=O)N2

WGK Alemanha

1

Peso molecular

142.12

Beilstein

128826

Reaxy-Rn

128826

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=128826&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Azolidines
      • Subclass Imidazolidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Azolidines
• Subclass: Imidazolidines
• Intermediate Tree Nodes: Not available
• Direct Parent: Imidazolidinones
• Alternative Parents: Ureas Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Imidazolidinone - Urea - Carbonic acid derivative - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aliphatic heteropolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as imidazolidinones. These are organic compounds containing an imidazolidinone moiety, which is an imidazolidine ring bearing a ketone.
• External Descriptors: azabicycloalkane - ureas

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

Propriedades químicas e físicas

• Ponto de fusão (°C): >300°C
• Peso molecular: 142.120 g/mol
• XLogP3: -1.600
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 142.049 Da
• Monoisotopic Mass: 142.049 Da
• Topological Polar Surface Area: 82.300 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 165.000
• 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 496-46-8, the molecular formula is C4H6N4O2, and the molecular weight is 142.12 g/mol. InChIKey VPVSTMAPERLKKM-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.