Cas no 58556-19-7 (Benzenamine, 4-[1-methyl-1-(4-nitrophenyl)ethyl]-2,6-dinitro-)
58556-19-7 structure
Product Name:Benzenamine, 4-[1-methyl-1-(4-nitrophenyl)ethyl]-2,6-dinitro-
CAS No:58556-19-7
MF:C15H14N4O6
MW:346.29486322403
CID:341652
PubChem ID:12259178
Update Time:2025-04-19
Benzenamine, 4-[1-methyl-1-(4-nitrophenyl)ethyl]-2,6-dinitro- Chemical and Physical Properties
Names and Identifiers
-
- Benzenamine, 4-[1-methyl-1-(4-nitrophenyl)ethyl]-2,6-dinitro-
- 2,6-dinitro-4-[2-(4-nitrophenyl)propan-2-yl]aniline
- DTXSID80482800
- 58556-19-7
-
- Inchi: 1S/C15H14N4O6/c1-15(2,9-3-5-11(6-4-9)17(20)21)10-7-12(18(22)23)14(16)13(8-10)19(24)25/h3-8H,16H2,1-2H3
- InChI Key: YGTPOJMQODZCMH-UHFFFAOYSA-N
- SMILES: [O-][N+](C1C(=C(C=C(C=1)C(C)(C)C1C=CC(=CC=1)[N+](=O)[O-])[N+](=O)[O-])N)=O
Computed Properties
- Exact Mass: 346.09142
- Monoisotopic Mass: 346.09133418g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 25
- Rotatable Bond Count: 2
- Complexity: 506
- 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: 4.1
- Topological Polar Surface Area: 164?2
Experimental Properties
- PSA: 155.44
Benzenamine, 4-[1-methyl-1-(4-nitrophenyl)ethyl]-2,6-dinitro- Related Literature
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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5. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
58556-19-7 (Benzenamine, 4-[1-methyl-1-(4-nitrophenyl)ethyl]-2,6-dinitro-) Related Products
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