Glycoluril - ≥98% , CAS No.496-46-8

CAS: 496-46-8 Cat. No.: G113447 Formule: C₄H₆N₄O₂ Poids moléculaire: 142.12 Beilstein Registry Number: 128826 Numéro 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

Synonymes

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-

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥98%

Noms et identifiants

Pubchem Sid

488183565

Pubchem Sid Url

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

Sourires canoniques

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)

Isomères SMILES

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

WGK Allemagne

1

Poids moléculaire

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
• Description: 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

Propriétés chimiques et physiques

• Point de fusion (°C): >300°C
• Poids moléculaire: 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

Foire aux questions

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.