Cas no 62122-71-8 (4-Acetylpiperazine-1-carboxamidine hemisulfate salt)
62122-71-8 structure
Product Name:4-Acetylpiperazine-1-carboxamidine hemisulfate salt
CAS No:62122-71-8
MF:C14H30N8O6S
MW:438.503000736237
CID:956183
Update Time:2023-08-02
4-Acetylpiperazine-1-carboxamidine hemisulfate salt Chemical and Physical Properties
Names and Identifiers
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- 4-acetylpiperazine-1-carboxamidine hemisulfate salt
- 4-Acetylpiperazine-1-carboxamidine hemisulfate salt
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- Inchi： 1S/2C7H14N4O.H2O4S/c2*1-6(12)10-2-4-11(5-3-10)7(8)9;1-5(2,3)4/h2*2-5H2,1H3,(H3,8,9);(H2,1,2,3,4)
- InChI Key： HXLBDLHTBLYDDT-UHFFFAOYSA-N
- SMILES： S(=O)(=O)(O)O.O=C(C)N1CCN(C(=N)N)CC1.O=C(C)N1CCN(C(=N)N)CC1
Computed Properties
- Hydrogen Bond Donor Count: 6
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 29
- Rotatable Bond Count: 2
- Complexity: 277
- Topological Polar Surface Area: 230
4-Acetylpiperazine-1-carboxamidine hemisulfate salt Related Literature
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Daniel Messmer,Stefan Salentinig,Jakob Heier Nanoscale, 2019,11, 6929-6938
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
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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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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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