Cas no 7449-27-6 (Benzenamine, N-ethyl-2,4,6-trinitro-)
7449-27-6 structure
Product Name:Benzenamine, N-ethyl-2,4,6-trinitro-
Benzenamine, N-ethyl-2,4,6-trinitro- Chemical and Physical Properties
Names and Identifiers
-
- Benzenamine, N-ethyl-2,4,6-trinitro-
- N-Ethyl-2,4,6-trinitroaniline
- NS00037626
- SCHEMBL15216215
- A7673
- EINECS 231-216-5
- 7449-27-6
- DTXSID40225492
-
- Inchi： 1S/C8H8N4O6/c1-2-9-8-6(11(15)16)3-5(10(13)14)4-7(8)12(17)18/h3-4,9H,2H2,1H3
- InChI Key： JRLUWLIIVKSPPT-UHFFFAOYSA-N
- SMILES： [O-][N+](C1C=C(C=C(C=1NCC)[N+](=O)[O-])[N+](=O)[O-])=O
Computed Properties
- Exact Mass: 256.04444
- Monoisotopic Mass: 256.04438399g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 18
- Rotatable Bond Count: 2
- Complexity: 321
- 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
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: nothing
- Topological Polar Surface Area: 150?2
Experimental Properties
- Density: 1.5747 (rough estimate)
- Boiling Point: 399.41°C (rough estimate)
- Refractive Index: 1.6590 (estimate)
- PSA: 141.45
Benzenamine, N-ethyl-2,4,6-trinitro- Related Literature
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J. M. Granadino-Roldán,M. Fernández-Gómez,A. Navarro,T. Pe?a Ruiz,U. A. Jayasooriya Phys. Chem. Chem. Phys., 2004,6, 1133-1143
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
-
Doug Ogrin,Laura H. van Poppel,Simon G. Bott,Andrew R. Barron Dalton Trans., 2004, 3689-3694
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4. An amorphous lanthanum–iridium solid solution with an open structure for efficient water splitting?Wei Sun,Chenglong Ma,Xinlong Tian,Jianjun Liao,Ji Yang,Chengjun Ge,Weiwei Huang J. Mater. Chem. A, 2020,8, 12518-12525
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