Cas no 5973-53-5 (Benzenamine, N-(1-ethylpropyl)-2,6-dinitro-4-(trifluoromethyl)-)
5973-53-5 structure
Product Name:Benzenamine, N-(1-ethylpropyl)-2,6-dinitro-4-(trifluoromethyl)-
CAS No:5973-53-5
MF:C12H14F3N3O4
MW:321.25247335434
CID:335320
PubChem ID:478798
Update Time:2025-04-19
Benzenamine, N-(1-ethylpropyl)-2,6-dinitro-4-(trifluoromethyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzenamine, N-(1-ethylpropyl)-2,6-dinitro-4-(trifluoromethyl)-
- 2,6-dinitro-N-pentan-3-yl-4-(trifluoromethyl)aniline
- N-(1-ethylpropyl)-2,6-dinitro-4-(trifluoromethyl)aniline
- DTXSID30333050
- (Dinitro-trifluoromethyl-phenyl)-(1-ethyl-propyl)-amine
- UASSGOXNPFOKPH-UHFFFAOYSA-N
- 5973-53-5
- SCHEMBL11204272
-
- Inchi： 1S/C12H14F3N3O4/c1-3-8(4-2)16-11-9(17(19)20)5-7(12(13,14)15)6-10(11)18(21)22/h5-6,8,16H,3-4H2,1-2H3
- InChI Key： UASSGOXNPFOKPH-UHFFFAOYSA-N
- SMILES： FC(C1C=C(C(=C(C=1)[N+](=O)[O-])NC(CC)CC)[N+](=O)[O-])(F)F
Computed Properties
- Exact Mass: 321.09364042g/mol
- Monoisotopic Mass: 321.09364042g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 22
- Rotatable Bond Count: 4
- Complexity: 380
- 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: 4.3
- Topological Polar Surface Area: 104?2
Benzenamine, N-(1-ethylpropyl)-2,6-dinitro-4-(trifluoromethyl)- Related Literature
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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