Cas no 105685-94-7 (Imidazolidinetrione, hexyl-)
Imidazolidinetrione, hexyl- structure
Product Name:Imidazolidinetrione, hexyl-
CAS No:105685-94-7
MF:C9H14N2O3
MW:198.219062328339
CID:1162460
PubChem ID:13913236
Update Time:2025-04-20
Imidazolidinetrione, hexyl- Chemical and Physical Properties
Names and Identifiers
-
- Imidazolidinetrione, hexyl-
- 1-hexylimidazolidine-2,4,5-trione
- AKOS013503465
- 105685-94-7
- DTXSID50552403
- SCHEMBL6232792
-
- Inchi： 1S/C9H14N2O3/c1-2-3-4-5-6-11-8(13)7(12)10-9(11)14/h2-6H2,1H3,(H,10,12,14)
- InChI Key： PQTADOSMPJLSLC-UHFFFAOYSA-N
- SMILES： O=C1C(NC(N1CCCCCC)=O)=O
Computed Properties
- Exact Mass: 198.10044231g/mol
- Monoisotopic Mass: 198.10044231g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 5
- Complexity: 263
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.6
- Topological Polar Surface Area: 66.5?2
Experimental Properties
- PSA: 69.97000
- LogP: 0.85890
Imidazolidinetrione, hexyl- Related Literature
-
Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
-
Cheng Fang,Jinjian Wu,Zahra Sobhani,Md. Al Amin,Youhong Tang Anal. Methods, 2019,11, 163-170
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