Cas no 1420863-74-6 (1-(Pyridin-3-ylmethyl)-1,4-diazepane hydrochloride)
1420863-74-6 structure
Product Name:1-(Pyridin-3-ylmethyl)-1,4-diazepane hydrochloride
CAS No:1420863-74-6
MF:C11H18ClN3
MW:227.733721256256
CID:2166806
Update Time:2023-08-05
1-(Pyridin-3-ylmethyl)-1,4-diazepane hydrochloride Chemical and Physical Properties
Names and Identifiers
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- 1-(Pyridin-3-ylmethyl)-1,4-diazepane hydrochloride
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- Inchi： 1S/C11H17N3.ClH/c1-3-11(9-13-4-1)10-14-7-2-5-12-6-8-14;/h1,3-4,9,12H,2,5-8,10H2;1H
- InChI Key： QQGWAABJNVCYAF-UHFFFAOYSA-N
- SMILES： Cl.N1(CC2C=NC=CC=2)CCNCCC1
Computed Properties
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 161
- Topological Polar Surface Area: 28.2
1-(Pyridin-3-ylmethyl)-1,4-diazepane hydrochloride Related Literature
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Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
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Lei Yang,Yuan Zeng,Haibo Wu,Chunwu Zhou,Lei Tao J. Mater. Chem. B, 2020,8, 1383-1388
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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