Cas no 83890-42-0 (dimethyl-octadecyl-phenethyl-azanium; 4-methylbenzenesulfonate)
83890-42-0 structure
Product Name:dimethyl-octadecyl-phenethyl-azanium; 4-methylbenzenesulfonate
CAS No:83890-42-0
MF:C35H59NO3S
MW:573.912869691849
CID:722655
PubChem ID:174346
Update Time:2025-04-19
dimethyl-octadecyl-phenethyl-azanium; 4-methylbenzenesulfonate Chemical and Physical Properties
Names and Identifiers
-
- dimethyl(octadecyl)phenethylammonium toluene-p-sulphonate
- dimethyl-octadecyl-(2-phenylethyl)azanium,4-methylbenzenesulfonate
- STEARYLPHENYLETHYLDIMETHYLAMMONIUM TOSYLATE
- 4-methylbenzenesulfonate
- dimethyl-octadecyl-phenethyl-azanium
- Stearyl(phenylethyl)dimethylammonium tosylate
- 83890-42-0
- EINECS 281-176-8
- NS00060999
- SCHEMBL6231998
- DTXSID10232779
- dimethyl-octadecyl-phenethyl-azanium; 4-methylbenzenesulfonate
-
- Inchi： 1S/C28H52N.C7H8O3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-26-29(2,3)27-25-28-23-20-19-21-24-28;1-6-2-4-7(5-3-6)11(8,9)10/h19-21,23-24H,4-18,22,25-27H2,1-3H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1
- InChI Key： RNZDMOKIKRLRSX-UHFFFAOYSA-M
- SMILES： S(C1C=CC(C)=CC=1)(=O)(=O)[O-].[N+](C)(C)(CCC1C=CC=CC=1)CCCCCCCCCCCCCCCCCC
Computed Properties
- Exact Mass: 573.422
- Monoisotopic Mass: 573.422
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 40
- Rotatable Bond Count: 20
- Complexity: 522
- 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: 65.6?2
dimethyl-octadecyl-phenethyl-azanium; 4-methylbenzenesulfonate Related Literature
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
83890-42-0 (dimethyl-octadecyl-phenethyl-azanium; 4-methylbenzenesulfonate) Related Products
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