Cas no 122625-13-2 (3H-Indolium,2-[5-(1,3-dihydro-3,3-dimethyl-1-pentyl-2H-indol-2-ylidene)-1,3-pentadien-1-yl]-3,3-dimethyl-1-pentyl-,bromide (1:1))
![3H-Indolium,2-[5-(1,3-dihydro-3,3-dimethyl-1-pentyl-2H-indol-2-ylidene)-1,3-pentadien-1-yl]-3,3-dimethyl-1-pentyl-,bromide (1:1) structure](https://ossimg.kuujia.com/scimg/123000/122625-13-2x500.png)
122625-13-2 structure
Product Name:3H-Indolium,2-[5-(1,3-dihydro-3,3-dimethyl-1-pentyl-2H-indol-2-ylidene)-1,3-pentadien-1-yl]-3,3-dimethyl-1-pentyl-,bromide (1:1)
CAS No:122625-13-2
MF:C35H47BrN2
MW:575.665088891983
CID:226048
PubChem ID:44152890
Update Time:2025-04-19
3H-Indolium,2-[5-(1,3-dihydro-3,3-dimethyl-1-pentyl-2H-indol-2-ylidene)-1,3-pentadien-1-yl]-3,3-dimethyl-1-pentyl-,bromide (1:1) Chemical and Physical Properties
Names and Identifiers
-
- 3H-Indolium,2-[5-(1,3-dihydro-3,3-dimethyl-1-pentyl-2H-indol-2-ylidene)-1,3-pentadien-1-yl]-3,3-dimethyl-1-pentyl-,bromide (1:1)
- (2E)-2-[(2E,4E)-5-(3,3-dimethyl-1-pentylindol-1-ium-2-yl)penta-2,4-dienylidene]-3,3-dimethyl-1-pentylindole,bromide
- 3H-Indolium,2-[5-(1,3-dihydro-3,3-dimethyl-1-pentyl-2H-indol-2-ylidene)-1,3-pentadien-1-yl]-3,3-dimethyl-1-pentyl-,bromide (1
- 3H-indoli<wbr>
- LogP
- 3H-Indolium, 2-(5-(1,3-dihydro-3,3-dimethyl-1-pentyl-2H-indol-2-ylidene)-1,3-pentadien-1-yl)-3,3-dimethyl-1-pentyl-, bromide (1:1)
- DTXSID4073091
- 122625-13-2
- 3H-Indolium, 2-[5-(1,3-dihydro-3,3-dimethyl-1-pentyl-2H-indol-2-ylidene)-1,3-pentadienyl]-3,3-dimethyl-1-pentyl-, bromide
- 3H-Indolium, 2-(5-(1,3-dihydro-3,3-dimethyl-1-pentyl-2H-indol-2-ylidene)-1,3-pentadienyl)-3,3-dimethyl-1-pentyl-, bromide
-
- Inchi： 1S/C35H47N2.BrH/c1-7-9-18-26-36-30-22-16-14-20-28(30)34(3,4)32(36)24-12-11-13-25-33-35(5,6)29-21-15-17-23-31(29)37(33)27-19-10-8-2;/h11-17,20-25H,7-10,18-19,26-27H2,1-6H3;1H/q+1;/p-1
- InChI Key： MYWGCTIBJGTBSZ-UHFFFAOYSA-M
- SMILES： [Br-].[N+]1(CCCCC)C2C=CC=CC=2C(C)(C)C=1/C=C/C=C/C=C1\C(C)(C)C2C=CC=CC=2N\1CCCCC
Computed Properties
- Exact Mass: 574.29251
- Monoisotopic Mass: 574.292
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 38
- Rotatable Bond Count: 11
- Complexity: 802
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 3
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 6.2A^2
Experimental Properties
- PSA: 6.25
3H-Indolium,2-[5-(1,3-dihydro-3,3-dimethyl-1-pentyl-2H-indol-2-ylidene)-1,3-pentadien-1-yl]-3,3-dimethyl-1-pentyl-,bromide (1:1) Related Literature
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
-
Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
-
Robert J. Meagher,Anson V. Hatch,Ronald F. Renzi,Anup K. Singh Lab Chip, 2008,8, 2046-2053
-
Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
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