Cas no 6068-86-6 (2-(4-chlorophenyl)ethyl-trimethylazanium;bromide)
6068-86-6 structure
Product Name:2-(4-chlorophenyl)ethyl-trimethylazanium;bromide
CAS No:6068-86-6
MF:C11H17BrClN
MW:278.616381406784
CID:953335
PubChem ID:24201217
Update Time:2025-04-19
2-(4-chlorophenyl)ethyl-trimethylazanium;bromide Chemical and Physical Properties
Names and Identifiers
-
- 2-(4-chlorophenyl)ethyl-trimethylazanium,bromide
- 2-(4-chlorophenyl)ethyl-trimethylazanium
- bromide
- 2-(4-Chlorophenyl)-N,N,N-trimethylethan-1-aminium bromide
- NSC-405836
- 6068-86-6
- DTXSID10639688
- NSC405836
- 2-(4-chlorophenyl)ethyl-trimethylazanium;bromide
-
- Inchi： 1S/C11H17ClN.BrH/c1-13(2,3)9-8-10-4-6-11(12)7-5-10;/h4-7H,8-9H2,1-3H3;1H/q+1;/p-1
- InChI Key： JCFLJLKPVFKVOV-UHFFFAOYSA-M
- SMILES： [Br-].ClC1C=CC(=CC=1)CC[N+](C)(C)C
Computed Properties
- Exact Mass: 198.10511
- Monoisotopic Mass: 277.02329g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 143
- 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: 0?2
Experimental Properties
- PSA: 0
2-(4-chlorophenyl)ethyl-trimethylazanium;bromide Related Literature
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
-
Jason Wan Lab Chip, 2020,20, 4528-4538
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Eunju Nam,Jiyeon Han,Sunhee Choi,Mi Hee Lim Chem. Commun., 2021,57, 7637-7640
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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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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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