Cas no 17009-95-9 (Pyrimidine-1,3-diium)
Pyrimidine-1,3-diium structure
Product Name:Pyrimidine-1,3-diium
CAS No:17009-95-9
MF:C4H6N2
MW:82.1038403511047
CID:2658678
Update Time:2023-08-06
Pyrimidine-1,3-diium Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Diazoniabenzene
- pyrimidine-1,3-diium
- Pyrimidinium ion
- Pyrimidine-1,3-dication
- Pyrimidine-1,3-diium
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- Inchi： 1S/C4H4N2/c1-2-5-4-6-3-1/h1-4H/p+2
- InChI Key： CZPWVGJYEJSRLH-UHFFFAOYSA-P
- SMILES： [NH+]1C=CC=[NH+]C=1
Computed Properties
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 6
- Rotatable Bond Count: 0
- Complexity: 32.5
- Topological Polar Surface Area: 28.3
Pyrimidine-1,3-diium Related Literature
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
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Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
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Jianyao Huang,Dong Gao,Zhihui Chen,Weifeng Zhang Polym. Chem., 2021,12, 2471-2480
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Eunice Y.-L. Hui,Bhimsen Rout,Yaw Sing Tan,Kok-Ping Chan,Charles W. Johannes Org. Biomol. Chem., 2018,16, 389-392
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