Cas no 102585-71-7 (3-Aza-9-azoniabicyclo[3.3.1]nonane,9,9-dimethyl-3-[2-(4-methylmorpholinium-4-yl)ethyl]-, iodide (1:2))
![3-Aza-9-azoniabicyclo[3.3.1]nonane,9,9-dimethyl-3-[2-(4-methylmorpholinium-4-yl)ethyl]-, iodide (1:2) structure](https://ossimg.kuujia.com/scimg/103000/102585-71-7x500.png)
102585-71-7 structure
Product Name:3-Aza-9-azoniabicyclo[3.3.1]nonane,9,9-dimethyl-3-[2-(4-methylmorpholinium-4-yl)ethyl]-, iodide (1:2)
CAS No:102585-71-7
MF:C16H33I2N3O
MW:537.261668920517
CID:150110
PubChem ID:59633
Update Time:2025-04-19
3-Aza-9-azoniabicyclo[3.3.1]nonane,9,9-dimethyl-3-[2-(4-methylmorpholinium-4-yl)ethyl]-, iodide (1:2) Chemical and Physical Properties
Names and Identifiers
-
- 3-Aza-9-azoniabicyclo[3.3.1]nonane,9,9-dimethyl-3-[2-(4-methylmorpholinium-4-yl)ethyl]-, iodide (1:2)
- 4-[2-(9,9-dimethyl-3-aza-9-azoniabicyclo[3.3.1]nonan-3-yl)ethyl]-4-methylmorpholin-4-ium,diiodide
- 9,9-Dimethyl-3-(2-(4-methylmorpholinio)ethyl)-3-aza-9-azoniabicyclo(3.3.1)nonane diiodide
- 3-Aza-9-azoniabicyclo(3.3.1)nonane, 9,9-dimethyl-3-(2-(4-methylmorpholinio)ethyl)-, diiodide
- 102585-71-7
- 9,9-Dimethyl-3-[2-(4-methylmorpholin-4-ium-4-yl)ethyl]-3,9-diazabicyclo[3.3.1]nonan-9-ium diiodide
- DTXSID50907873
-
- Inchi： 1S/C16H33N3O.2HI/c1-18(2)15-5-4-6-16(18)14-17(13-15)7-8-19(3)9-11-20-12-10-19;;/h15-16H,4-14H2,1-3H3;2*1H/q+2;;/p-2
- InChI Key： ZRIVOCZMSQRSBN-UHFFFAOYSA-L
- SMILES： [I-].[I-].O1CC[N+](C)(CC1)CCN1CC2CCCC(C1)[N+]2(C)C
Computed Properties
- Exact Mass: 503.8122
- Monoisotopic Mass: 537.07131g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 22
- Rotatable Bond Count: 3
- Complexity: 323
- Covalently-Bonded Unit Count: 3
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 12.5?2
Experimental Properties
- PSA: 12.47
3-Aza-9-azoniabicyclo[3.3.1]nonane,9,9-dimethyl-3-[2-(4-methylmorpholinium-4-yl)ethyl]-, iodide (1:2) Related Literature
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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
-
Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
-
Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
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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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