Cas no 5103-92-4 (Benzenamine, N-ethyl-2,6-dinitro-N-propyl-4-(trifluoromethyl)-)
5103-92-4 structure
Product Name:Benzenamine, N-ethyl-2,6-dinitro-N-propyl-4-(trifluoromethyl)-
CAS No:5103-92-4
MF:C12H14F3N3O4
MW:321.25247335434
CID:363538
PubChem ID:53913014
Update Time:2025-04-19
Benzenamine, N-ethyl-2,6-dinitro-N-propyl-4-(trifluoromethyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzenamine, N-ethyl-2,6-dinitro-N-propyl-4-(trifluoromethyl)-
- N-ethyl-2,6-dinitro-N-propyl-4-(trifluoromethyl)aniline
- SCHEMBL11204357
- 5103-92-4
- IFCKWWXWJYTNCS-UHFFFAOYSA-N
- DTXSID30707616
-
- Inchi： 1S/C12H14F3N3O4/c1-3-5-16(4-2)11-9(17(19)20)6-8(12(13,14)15)7-10(11)18(21)22/h6-7H,3-5H2,1-2H3
- InChI Key： IFCKWWXWJYTNCS-UHFFFAOYSA-N
- SMILES： FC(C1C=C(C(=C(C=1)[N+](=O)[O-])N(CC)CCC)[N+](=O)[O-])(F)F
Computed Properties
- Exact Mass: 321.09372
- Monoisotopic Mass: 321.094
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 22
- Rotatable Bond Count: 4
- Complexity: 384
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4.9
- Topological Polar Surface Area: 94.9?2
Experimental Properties
- PSA: 89.52
Benzenamine, N-ethyl-2,6-dinitro-N-propyl-4-(trifluoromethyl)- Related Literature
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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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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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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