Cas no 137866-80-9 (N,N-Diethyl-N-[(2-nitrophenyl)methyl]ethanaminium bromide)
![N,N-Diethyl-N-[(2-nitrophenyl)methyl]ethanaminium bromide structure](https://ossimg.kuujia.com/scimg/138000/137866-80-9x500.png)
137866-80-9 structure
Product Name:N,N-Diethyl-N-[(2-nitrophenyl)methyl]ethanaminium bromide
CAS No:137866-80-9
MF:C13H21BrN2O2
MW:317.222042798996
CID:2772446
PubChem ID:14875771
Update Time:2025-04-21
N,N-Diethyl-N-[(2-nitrophenyl)methyl]ethanaminium bromide Chemical and Physical Properties
Names and Identifiers
-
- 137866-80-9
- DTXSID70564907
- o-nitrobenzyltriethylammonium bromide
- N,N-Diethyl-N-[(2-nitrophenyl)methyl]ethanaminium bromide
-
- Inchi： 1S/C13H21N2O2.BrH/c1-4-15(5-2,6-3)11-12-9-7-8-10-13(12)14(16)17;/h7-10H,4-6,11H2,1-3H3;1H/q+1;/p-1
- InChI Key： RJXWACLPUSWMFH-UHFFFAOYSA-M
- SMILES： [Br-].[O-][N+](C1C=CC=CC=1C[N+](CC)(CC)CC)=O
Computed Properties
- Exact Mass: 316.07864Da
- Monoisotopic Mass: 316.07864Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 18
- Rotatable Bond Count: 5
- Complexity: 238
- 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: 45.8?2
N,N-Diethyl-N-[(2-nitrophenyl)methyl]ethanaminium bromide Related Literature
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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Pavel Karásek,Jakub Grym,Michal Roth,Josef Planeta,Franti?ek Foret Lab Chip, 2015,15, 311-318
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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
137866-80-9 (N,N-Diethyl-N-[(2-nitrophenyl)methyl]ethanaminium bromide) Related Products
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