Cas no 2001-67-4 (4,4'-[piperazine-1,4-diylbis(3-oxopropane-3,1-diyl)]bis(4-methylmorpholin-4-ium) diiodide)
![4,4'-[piperazine-1,4-diylbis(3-oxopropane-3,1-diyl)]bis(4-methylmorpholin-4-ium) diiodide structure](https://ossimg.kuujia.com/scimg/2500/2001-67-4x500.png)
2001-67-4 structure
Product Name:4,4'-[piperazine-1,4-diylbis(3-oxopropane-3,1-diyl)]bis(4-methylmorpholin-4-ium) diiodide
CAS No:2001-67-4
MF:C20H38I2N4O4
MW:652.349070072174
CID:1391045
PubChem ID:121257
Update Time:2025-04-20
4,4'-[piperazine-1,4-diylbis(3-oxopropane-3,1-diyl)]bis(4-methylmorpholin-4-ium) diiodide Chemical and Physical Properties
Names and Identifiers
-
- 4,4'-[piperazine-1,4-diylbis(3-oxopropane-3,1-diyl)]bis(4-methylmorpholin-4-ium) diiodide
- 3-(4-methylmorpholin-4-ium-4-yl)-1-[4-[3-(4-methylmorpholin-4-ium-4-yl)propanoyl]piperazin-1-yl]propan-1-one,diiodide
- DTXSID80941987
- 2001-67-4
- 4,4'-(1,4-Piperazinediylbis(carbonylethylene))bis(4-methylmorpholinium iodide)
- Morpholinium, 4,4'-(1,4-piperazinediylbis(carbonylethylene))bis(4-methyl-, diiodide
-
- Inchi： 1S/C20H38N4O4.2HI/c1-23(11-15-27-16-12-23)9-3-19(25)21-5-7-22(8-6-21)20(26)4-10-24(2)13-17-28-18-14-24;;/h3-18H2,1-2H3;2*1H/q+2;;/p-2
- InChI Key： PIBHDKQQJUGVMU-UHFFFAOYSA-L
- SMILES： [I-].[I-].O1CC[N+](C)(CC1)CCC(N1CCN(CC1)C(CC[N+]1(C)CCOCC1)=O)=O
Computed Properties
- Exact Mass: 613.8
- Monoisotopic Mass: 652.098242
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 30
- Rotatable Bond Count: 6
- Complexity: 488
- Covalently-Bonded Unit Count: 3
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 59.1
Experimental Properties
- Boiling Point: °Cat760mmHg
- Flash Point: °C
- PSA: 59.08
4,4'-[piperazine-1,4-diylbis(3-oxopropane-3,1-diyl)]bis(4-methylmorpholin-4-ium) diiodide Related Literature
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
-
Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
-
Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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