Cas no 29951-88-0 (2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(1-ethylpropyl)-)
29951-88-0 structure
Product Name:2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(1-ethylpropyl)-
CAS No:29951-88-0
MF:C9H14N2O3
MW:198.219062328339
CID:238036
PubChem ID:14833315
Update Time:2025-04-19
2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(1-ethylpropyl)- Chemical and Physical Properties
Names and Identifiers
-
- 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(1-ethylpropyl)-
- 5-pentan-3-yl-1,3-diazinane-2,4,6-trione
- 5-(Pentan-3-yl)pyrimidine-2,4,6(1H,3H,5H)-trione
- DTXSID70564508
- 29951-88-0
-
- Inchi： 1S/C9H14N2O3/c1-3-5(4-2)6-7(12)10-9(14)11-8(6)13/h5-6H,3-4H2,1-2H3,(H2,10,11,12,13,14)
- InChI Key： YOORBVQJMZXITQ-UHFFFAOYSA-N
- SMILES： O=C1C(C(NC(N1)=O)=O)C(CC)CC
Computed Properties
- Exact Mass: 198.10052
- Monoisotopic Mass: 198.10044231g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 251
- 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: 1.1
- Topological Polar Surface Area: 75.3?2
Experimental Properties
- PSA: 75.27
2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(1-ethylpropyl)- Related Literature
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1. Estimating and correcting interference fringes in infrared spectra in infrared hyperspectral imagingGhazal Azarfar,Ebrahim Aboualizadeh,Nicholas M. Walter,Simona Ratti,Camilla Olivieri,Alessandra Norici,Michael Nasse,Achim Kohler,Mario Giordano Analyst, 2018,143, 4674-4683
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Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
29951-88-0 (2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(1-ethylpropyl)-) Related Products
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