Cas no 121371-71-9 (5-chloro-2-ethyl-4,6-Pyrimidinediamine)
121371-71-9 structure
Product Name:5-chloro-2-ethyl-4,6-Pyrimidinediamine
CAS No:121371-71-9
MF:C6H9ClN4
MW:172.61545920372
CID:2107715
Update Time:2023-11-19
5-chloro-2-ethyl-4,6-Pyrimidinediamine Chemical and Physical Properties
Names and Identifiers
-
- 5-chloro-2-ethyl-4,6-Pyrimidinediamine
- CID 119098327
- 5-chloro-2-ethylpyrimidine-4,6-diamine
- 4,6-Pyrimidinediamine, 5-chloro-2-ethyl-
-
- Inchi： 1S/C6H9ClN4/c1-2-3-10-5(8)4(7)6(9)11-3/h2H2,1H3,(H4,8,9,10,11)
- InChI Key： NWGPYRFDUNRVEI-UHFFFAOYSA-N
- SMILES： ClC1C(N)=NC(CC)=NC=1N
Computed Properties
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 120
- Topological Polar Surface Area: 77.8
Experimental Properties
- Density: 1.378±0.06 g/cm3(Predicted)
- Boiling Point: 319.2±37.0 °C(Predicted)
- pka: 5.43±0.10(Predicted)
5-chloro-2-ethyl-4,6-Pyrimidinediamine Related Literature
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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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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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