Cas no 76529-17-4 (Quinolinium, 1-ethyl-2-[2-(methylphenylamino)ethenyl]-, iodide)
![Quinolinium, 1-ethyl-2-[2-(methylphenylamino)ethenyl]-, iodide structure](https://ossimg.kuujia.com/scimg/77000/76529-17-4x500.png)
76529-17-4 structure
Product Name:Quinolinium, 1-ethyl-2-[2-(methylphenylamino)ethenyl]-, iodide
CAS No:76529-17-4
MF:C20H21IN2
MW:416.298617124558
CID:537629
PubChem ID:71403507
Update Time:2025-04-19
Quinolinium, 1-ethyl-2-[2-(methylphenylamino)ethenyl]-, iodide Chemical and Physical Properties
Names and Identifiers
-
- Quinolinium, 1-ethyl-2-[2-(methylphenylamino)ethenyl]-, iodide
- N-[2-(1-ethylquinolin-1-ium-2-yl)ethenyl]-N-methylaniline,iodide
- DTXSID70824412
- 1-Ethyl-2-{2-[methyl(phenyl)amino]ethenyl}quinolin-1-ium iodide
- 76529-17-4
-
- Inchi： 1S/C20H21N2.HI/c1-3-22-19(14-13-17-9-7-8-12-20(17)22)15-16-21(2)18-10-5-4-6-11-18;/h4-16H,3H2,1-2H3;1H/q+1;/p-1
- InChI Key： GDAILARSSUTRBW-UHFFFAOYSA-M
- SMILES： [I-].[N+]1(CC)C(C=CN(C)C2C=CC=CC=2)=CC=C2C=CC=CC=12
Computed Properties
- Exact Mass: 394.9102
- Monoisotopic Mass: 416.07495g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 23
- Rotatable Bond Count: 4
- Complexity: 359
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- Topological Polar Surface Area: 7.1?2
Experimental Properties
- PSA: 7.12
Quinolinium, 1-ethyl-2-[2-(methylphenylamino)ethenyl]-, iodide Related Literature
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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