Cas no 433687-12-8 (N,N-Dimethyl-N-octyloctan-1-aminium octanoate)
433687-12-8 structure
Product Name:N,N-Dimethyl-N-octyloctan-1-aminium octanoate
CAS No:433687-12-8
MF:C26H55NO2
MW:413.720408678055
CID:2642317
PubChem ID:71363107
Update Time:2025-04-21
N,N-Dimethyl-N-octyloctan-1-aminium octanoate Chemical and Physical Properties
Names and Identifiers
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- dimethyl(dioctyl)azanium,octanoate
- 433687-12-8
- DTXSID90786689
- N,N-Dimethyl-N-octyloctan-1-aminium octanoate
-
- Inchi： 1S/C18H40N.C8H16O2/c1-5-7-9-11-13-15-17-19(3,4)18-16-14-12-10-8-6-2;1-2-3-4-5-6-7-8(9)10/h5-18H2,1-4H3;2-7H2,1H3,(H,9,10)/q+1;/p-1
- InChI Key： SFRRUQLOAFXMCE-UHFFFAOYSA-M
- SMILES： [O-]C(CCCCCCC)=O.[N+](C)(C)(CCCCCCCC)CCCCCCCC
Computed Properties
- Exact Mass: 413.42328000Da
- Monoisotopic Mass: 413.42328000Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 29
- Rotatable Bond Count: 19
- Complexity: 240
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 40.1?2
N,N-Dimethyl-N-octyloctan-1-aminium octanoate Related Literature
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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