Cas no 105476-79-7 (1,1'-Decamethylenebis[3-carboxyquinuclidiniumiodide], dimethyl ester (7CI))
![1,1'-Decamethylenebis[3-carboxyquinuclidiniumiodide], dimethyl ester (7CI) structure](https://ossimg.kuujia.com/scimg/105500/105476-79-7x500.png)
105476-79-7 structure
Product Name:1,1'-Decamethylenebis[3-carboxyquinuclidiniumiodide], dimethyl ester (7CI)
CAS No:105476-79-7
MF:C28H50I2N2O4
MW:732.516553401947
CID:189513
PubChem ID:3064728
Update Time:2025-04-19
1,1'-Decamethylenebis[3-carboxyquinuclidiniumiodide], dimethyl ester (7CI) Chemical and Physical Properties
Names and Identifiers
-
- 1,1'-Decamethylenebis[3-carboxyquinuclidiniumiodide], dimethyl ester (7CI)
- methyl 1-[10-(3-methoxycarbonyl-1-azoniabicyclo[2.2.2]octan-1-yl)decyl]-1-azoniabicyclo[2.2.2]octane-3-carboxylate,diiodide
- DTXSID30909557
- 1,1'-(Decane-1,10-diyl)bis[3-(methoxycarbonyl)-1-azabicyclo[2.2.2]octan-1-ium] diiodide
- 1,1'-Decamethylenebis(3-carboxyquinuclidinium iodide) dimethyl ester
- 105476-79-7
- Quinuclidinium, 1,1'-decamethylenebis(3-carboxy-, diiodide, dimethyl ester
-
- Inchi： 1S/C28H50N2O4.2HI/c1-33-27(31)25-21-29(17-11-23(25)12-18-29)15-9-7-5-3-4-6-8-10-16-30-19-13-24(14-20-30)26(22-30)28(32)34-2;;/h23-26H,3-22H2,1-2H3;2*1H/q+2;;/p-2
- InChI Key： NRBZIZXEYNLYTG-UHFFFAOYSA-L
- SMILES： [I-].[I-].O(C)C(C1C[N+]2(CCCCCCCCCC[N+]34CCC(CC3)C(C(=O)OC)C4)CCC1CC2)=O
Computed Properties
- Exact Mass: 681.7938
- Monoisotopic Mass: 732.185994
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 36
- Rotatable Bond Count: 15
- Complexity: 622
- 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: 52.6
Experimental Properties
- PSA: 52.6
- LogP: -1.90800
1,1'-Decamethylenebis[3-carboxyquinuclidiniumiodide], dimethyl ester (7CI) Related Literature
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1. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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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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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
105476-79-7 (1,1'-Decamethylenebis[3-carboxyquinuclidiniumiodide], dimethyl ester (7CI)) Related Products
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