Cas no 42452-55-1 (Ethanol,2-[[2,6-dinitro-4-(trifluoromethyl)phenyl]propylamino]-)
![Ethanol,2-[[2,6-dinitro-4-(trifluoromethyl)phenyl]propylamino]- structure](https://ossimg.kuujia.com/scimg/42500/42452-55-1x500.png)
42452-55-1 structure
Product Name:Ethanol,2-[[2,6-dinitro-4-(trifluoromethyl)phenyl]propylamino]-
CAS No:42452-55-1
MF:C12H14F3N3O5
MW:337.251873493195
CID:332430
PubChem ID:170654
Update Time:2025-04-19
Ethanol,2-[[2,6-dinitro-4-(trifluoromethyl)phenyl]propylamino]- Chemical and Physical Properties
Names and Identifiers
-
- Ethanol,2-[[2,6-dinitro-4-(trifluoromethyl)phenyl]propylamino]-
- 2-[[2,6-dinitro-4-(trifluoromethyl)phenyl]propylamino]ethanol
- 2-[2,6-dinitro-N-propyl-4-(trifluoromethyl)anilino]ethanol
- Ethanol, 2-((2,6-dinitro-4-(trifluoromethyl)phenyl)propylamino)-
- Ethanol, 2-[[2,6-dinitro-4-(trifluoromethyl)phenyl]propylamino]-
- EINECS 255-831-3
- DTXSID00884822
- NS00057329
- 42452-55-1
- CHEMBL591293
- 2-((2,6-Dinitro-4-(trifluoromethyl)phenyl)propylamino)ethanol
-
- Inchi： 1S/C12H14F3N3O5/c1-2-3-16(4-5-19)11-9(17(20)21)6-8(12(13,14)15)7-10(11)18(22)23/h6-7,19H,2-5H2,1H3
- InChI Key： BXCXWQRPMVCUKU-UHFFFAOYSA-N
- SMILES： FC(C1C=C(C(=C(C=1)[N+](=O)[O-])N(CCO)CCC)[N+](=O)[O-])(F)F
Computed Properties
- Exact Mass: 337.08855504g/mol
- Monoisotopic Mass: 337.08855504g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 9
- Heavy Atom Count: 23
- Rotatable Bond Count: 5
- Complexity: 400
- 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: 3.8
- Topological Polar Surface Area: 115?2
Ethanol,2-[[2,6-dinitro-4-(trifluoromethyl)phenyl]propylamino]- Related Literature
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
42452-55-1 (Ethanol,2-[[2,6-dinitro-4-(trifluoromethyl)phenyl]propylamino]-) Related Products
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