Cas no 26389-46-8 (Benzenamine,N-(cyclopropylmethyl)-2,6-dinitro-4-(trifluoromethyl)-)
26389-46-8 structure
Product Name:Benzenamine,N-(cyclopropylmethyl)-2,6-dinitro-4-(trifluoromethyl)-
CAS No:26389-46-8
MF:C11H10F3N3O4
MW:305.21001291275
CID:257232
PubChem ID:179478
Update Time:2025-04-19
Benzenamine,N-(cyclopropylmethyl)-2,6-dinitro-4-(trifluoromethyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzenamine,N-(cyclopropylmethyl)-2,6-dinitro-4-(trifluoromethyl)-
- N-(cyclopropylmethyl)-2,6-dinitro-4-(trifluoromethyl)aniline
- DTXSID80180990
- Benzenamine, N-(cyclopropylmethyl)-2,6-dinitro-4-(trifluoromethyl)-
- SCHEMBL11494940
- AOQLDKFEPCBCNA-UHFFFAOYSA-N
- 26389-46-8
-
- Inchi： 1S/C11H10F3N3O4/c12-11(13,14)7-3-8(16(18)19)10(9(4-7)17(20)21)15-5-6-1-2-6/h3-4,6,15H,1-2,5H2
- InChI Key： AOQLDKFEPCBCNA-UHFFFAOYSA-N
- SMILES： FC(C1C=C(C(=C(C=1)[N+](=O)[O-])NCC1CC1)[N+](=O)[O-])(F)F
Computed Properties
- Exact Mass: 305.0624
- Monoisotopic Mass: 305.062
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 21
- Rotatable Bond Count: 3
- Complexity: 392
- 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: 3.2
- Topological Polar Surface Area: 104?2
Experimental Properties
- Density: 1.562
- Boiling Point: 364.4°C at 760 mmHg
- Flash Point: 174.2°C
- Refractive Index: 1.588
- PSA: 98.31
Benzenamine,N-(cyclopropylmethyl)-2,6-dinitro-4-(trifluoromethyl)- Related Literature
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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M. T. Colomer,S. Díaz-Moreno,A. Tamayo,A. L. Ortiz J. Mater. Chem. C, 2018,6, 12643-12651
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Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
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