Glycoluril - ≥98% , CAS No.496-46-8

CAS: 496-46-8 Cat. No.: G113447 Formula: C₄H₆N₄O₂ Peso molecolare: 142.12 Beilstein Registry Number: 128826 Numero EC: 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

Sinonimi

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-

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥98%

Nomi e identificatori

• Pubchem Sid: 488183565
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488183565
• Sorrisi canonici: 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)
• Isomeri SMILES: C12C(NC(=O)N1)NC(=O)N2
• WGK Germania: 1
• Peso molecolare: 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
• Descrizione: 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

Proprietà chimiche e fisiche

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

Riferimenti

1. Xu Wen, Xueling Yan, Xiaoling Zheng, Qiming Kou, Lulan Yang, Jiaming Tang, Xingyue Chen, Yong Xie, Tao Le.  (2023)  Selection and truncation of aptamers as fluorescence sensing platforms for selective and sensitive detection of nitrofurazone.  ANALYTICA CHIMICA ACTA,      [PMID:36935137] [10.1016/j.aca.2023.341044]

2. Cuihua Hu, Ningning Ma, Fei Li, Yu Fang, Yao Liu, Linlu Zhao, Shanpeng Qiao, Xiumei Li, Xiaojia Jiang, Tiezhu Li, Fangzhong Shen, Yibing Huang, Quan Luo, Junqiu Liu.  (2018)  Cucurbit[8]uril-Based Giant Supramolecular Vesicles: Highly Stable, Versatile Carriers for Photoresponsive and Targeted Drug Delivery.  ACS Applied Materials & Interfaces,      [PMID:29333854] [10.1021/acsami.8b00297]

3. Ruizhi Tang, Shujuan Ma, Quan Bai, Yangyang Bian, Zichao Tang, Junjie Ou.  (2026)  Preparation of a cucurbit[6]uril-containing monolithic material for specific recognition and enrichment of multi-phosphopeptides.  JOURNAL OF CHROMATOGRAPHY A,      [PMID:41763127] [10.1016/j.chroma.2026.466840]

4. Xiaolong Shen, Ruizhi Tang, Shujuan Ma, Yangyang Bian, Zichao Tang, Junjie Ou.  (2026)  Molecular recognition-based affinity chromatography strategy for selective separation of cucurbit[5]uril and cucurbit[7]uril on hybrid monolithic materials.  ANALYTICA CHIMICA ACTA,      [PMID:41935012] [10.1016/j.aca.2026.345404]

5. Xue-Min Yang, Qian-Qian Gao, Fang-Juan Wu, Kathrin Harre, Qian-Ting Wang, Dan Xiao.  (2026)  A novel strategy for efficient fire and smoke safety of epoxy composites based on ferrocene@cucurbituril[n] host–guest structures.  COMPOSITE STRUCTURES,      [PMID:] [10.1016/j.compstruct.2026.120264]

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 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.