Cas no 52304-50-4 (2,4(1H,3H)-Pyrimidinedione, 1-(2-butenyl)-6-chloro-3,5-diethyl-)
52304-50-4 structure
Product Name:2,4(1H,3H)-Pyrimidinedione, 1-(2-butenyl)-6-chloro-3,5-diethyl-
CAS No:52304-50-4
MF:C12H17ClN2O2
MW:256.728582143784
CID:359942
PubChem ID:71365692
Update Time:2025-04-19
2,4(1H,3H)-Pyrimidinedione, 1-(2-butenyl)-6-chloro-3,5-diethyl- Chemical and Physical Properties
Names and Identifiers
-
- 2,4(1H,3H)-Pyrimidinedione, 1-(2-butenyl)-6-chloro-3,5-diethyl-
- 1-but-2-enyl-6-chloro-3,5-diethylpyrimidine-2,4-dione
- 1-(But-2-en-1-yl)-6-chloro-3,5-diethylpyrimidine-2,4(1H,3H)-dione
- DTXSID80789088
- 52304-50-4
-
- Inchi： 1S/C12H17ClN2O2/c1-4-7-8-15-10(13)9(5-2)11(16)14(6-3)12(15)17/h4,7H,5-6,8H2,1-3H3
- InChI Key： AUTBTQXSMVRZLQ-UHFFFAOYSA-N
- SMILES： ClC1=C(CC)C(N(CC)C(N1CC=CC)=O)=O
Computed Properties
- Exact Mass: 256.09801
- Monoisotopic Mass: 256.0978555g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 17
- Rotatable Bond Count: 4
- Complexity: 388
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- XLogP3: 2.3
- Topological Polar Surface Area: 40.6?2
Experimental Properties
- PSA: 40.62
2,4(1H,3H)-Pyrimidinedione, 1-(2-butenyl)-6-chloro-3,5-diethyl- Related Literature
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
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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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