Cas no 157716-77-3 (4-Hydroxy-1,1-dimethylazepan-1-ium)
157716-77-3 structure
Product Name:4-Hydroxy-1,1-dimethylazepan-1-ium
CAS No:157716-77-3
MF:C8H18NO
MW:144.234622478485
CID:2779784
Update Time:2023-08-07
4-Hydroxy-1,1-dimethylazepan-1-ium Chemical and Physical Properties
Names and Identifiers
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- 4-Hydroxy-1,1-dimethylazepan-1-ium
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- Inchi： 1S/C8H18NO/c1-9(2)6-3-4-8(10)5-7-9/h8,10H,3-7H2,1-2H3/q+1
- InChI Key： WXBOPMOGXCVDSY-UHFFFAOYSA-N
- SMILES： OC1CCC[N+](C)(C)CC1
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 10
- Rotatable Bond Count: 0
- Complexity: 112
- XLogP3: 0.5
- Topological Polar Surface Area: 20.2
4-Hydroxy-1,1-dimethylazepan-1-ium Related Literature
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Jason Wan Lab Chip, 2020,20, 4528-4538
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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