Cas no 51690-39-2 (Benzenamine, 4-(2,4-dinitrophenoxy)-N,N-diethyl-)
51690-39-2 structure
Product Name:Benzenamine, 4-(2,4-dinitrophenoxy)-N,N-diethyl-
CAS No:51690-39-2
MF:C16H17N3O5
MW:331.323283910751
CID:361639
PubChem ID:71366030
Update Time:2025-04-19
Benzenamine, 4-(2,4-dinitrophenoxy)-N,N-diethyl- Chemical and Physical Properties
Names and Identifiers
-
- Benzenamine, 4-(2,4-dinitrophenoxy)-N,N-diethyl-
- 4-(2,4-dinitrophenoxy)-N,N-diethylaniline
- DTXSID40789408
- 51690-39-2
-
- Inchi： 1S/C16H17N3O5/c1-3-17(4-2)12-5-8-14(9-6-12)24-16-10-7-13(18(20)21)11-15(16)19(22)23/h5-11H,3-4H2,1-2H3
- InChI Key： HUOSFKMKIUETBJ-UHFFFAOYSA-N
- SMILES： O(C1C=CC(=CC=1[N+](=O)[O-])[N+](=O)[O-])C1C=CC(=CC=1)N(CC)CC
Computed Properties
- Exact Mass: 331.11691
- Monoisotopic Mass: 331.11682065g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 24
- Rotatable Bond Count: 5
- Complexity: 424
- 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
- Topological Polar Surface Area: 104?2
Experimental Properties
- PSA: 98.75
Benzenamine, 4-(2,4-dinitrophenoxy)-N,N-diethyl- Related Literature
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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