Glycoluril - ≥98% , CAS No.496-46-8

CAS: 496-46-8 Cat. No.: G113447 Peso molecular: 142.12 Beilstein Registry Number: 128826 Número 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

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-

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488183565
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488183565
• Sonrisas canónicas: 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)
• Isómeros SMILES: C12C(NC(=O)N1)NC(=O)N2
• WGK Alemania: 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
    • Clase Azolidines
      • Subclass Imidazolidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: 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
• Descripción: 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

Propiedades químicas y físicas

• Punto de fusión (°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

Referencias

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:] [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]