Cas no 1420992-92-2 (4-N-(5-Fluoropyrimidin-2-yl)cyclohexane-1,4-diamine;hydrochloride)
1420992-92-2 structure
Product Name:4-N-(5-Fluoropyrimidin-2-yl)cyclohexane-1,4-diamine;hydrochloride
CAS No:1420992-92-2
MF:C10H16ClFN4
MW:246.712244033813
CID:2164366
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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- (1R,4r)-n1-(5-fluoropyrimidin-2-yl)cyclohexane-1,4-diamine hydrochloride
- N1-(5-fluoropyrimidin-2-yl)cyclohexane-1,4-diamine hydrochloride
- 4-N-(5-Fluoropyrimidin-2-yl)cyclohexane-1,4-diamine;hydrochloride
-
- 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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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
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Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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5. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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