Cas no 1420889-33-3 (4-N-(5-Fluoropyrimidin-2-yl)cyclohexane-1,4-diamine;hydrochloride)
1420889-33-3 structure
Product Name:4-N-(5-Fluoropyrimidin-2-yl)cyclohexane-1,4-diamine;hydrochloride
CAS No:1420889-33-3
MF:C10H16ClFN4
MW:246.712244033813
CID:2170416
Update Time:2023-08-05
4-N-(5-Fluoropyrimidin-2-yl)cyclohexane-1,4-diamine;hydrochloride Chemical and Physical Properties
Names and Identifiers
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- N1-(5-fluoropyrimidin-2-yl)cyclohexane-1,4-diamine hydrochloride
- (1r,4r)-N1-(5-fluoropyrimidin-2-yl)cyclohexane-1,4-diamine hydrochloride
- 4-N-(5-Fluoropyrimidin-2-yl)cyclohexane-1,4-diamine;hydrochloride
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- Inchi： 1S/C10H15FN4.ClH/c11-7-5-13-10(14-6-7)15-9-3-1-8(12)2-4-9;/h5-6,8-9H,1-4,12H2,(H,13,14,15);1H
- InChI Key： LYPBXRVZIIJCMF-UHFFFAOYSA-N
- SMILES： Cl.FC1C=NC(=NC=1)NC1CCC(CC1)N
Computed Properties
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 16
- Rotatable Bond Count: 2
- Complexity: 186
- Topological Polar Surface Area: 63.8
4-N-(5-Fluoropyrimidin-2-yl)cyclohexane-1,4-diamine;hydrochloride Related Literature
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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Daniel Messmer,Stefan Salentinig,Jakob Heier Nanoscale, 2019,11, 6929-6938
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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