Cas no 147900-76-3 (2,3,5-Piperazinetrione,1,4-dimethyl-)
147900-76-3 structure
Product Name:2,3,5-Piperazinetrione,1,4-dimethyl-
CAS No:147900-76-3
MF:C6H8N2O3
MW:156.139321327209
CID:100637
PubChem ID:20681600
Update Time:2025-04-18
2,3,5-Piperazinetrione,1,4-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- 2,3,5-Piperazinetrione,1,4-dimethyl-
- 1,4-DIMETHYLPIPERAZINE-2,3,5-TRIONE
- Piperazinetrione, 1,4-dimethyl- (9CI)
- 147900-76-3
-
- Inchi： 1S/C6H8N2O3/c1-7-3-4(9)8(2)6(11)5(7)10/h3H2,1-2H3
- InChI Key： BVDZPASSANKIIM-UHFFFAOYSA-N
- SMILES： O=C1CN(C)C(C(N1C)=O)=O
Computed Properties
- Exact Mass: 156.05354
- Monoisotopic Mass: 156.053
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 0
- Complexity: 236
- 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
- Topological Polar Surface Area: 57.7A^2
- XLogP3: -0.8
Experimental Properties
- PSA: 57.69
2,3,5-Piperazinetrione,1,4-dimethyl- Related Literature
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Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
-
Lei Yang,Yuan Zeng,Haibo Wu,Chunwu Zhou,Lei Tao J. Mater. Chem. B, 2020,8, 1383-1388
-
Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
-
Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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