Cas no 59038-58-3 (Benzenamine, 4-(1-methyl-1-phenylethyl)-2,6-dinitro-)
59038-58-3 structure
Product Name:Benzenamine, 4-(1-methyl-1-phenylethyl)-2,6-dinitro-
CAS No:59038-58-3
MF:C15H15N3O4
MW:301.297303438187
CID:340076
PubChem ID:12259177
Update Time:2025-04-19
Benzenamine, 4-(1-methyl-1-phenylethyl)-2,6-dinitro- Chemical and Physical Properties
Names and Identifiers
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- Benzenamine, 4-(1-methyl-1-phenylethyl)-2,6-dinitro-
- 2,6-dinitro-4-(2-phenylpropan-2-yl)aniline
- DTXSID30482799
- 59038-58-3
- 2-(4-Amino-3,5-dinitrophenyl)-2-phenylpropan
-
- Inchi： 1S/C15H15N3O4/c1-15(2,10-6-4-3-5-7-10)11-8-12(17(19)20)14(16)13(9-11)18(21)22/h3-9H,16H2,1-2H3
- InChI Key： VGCDZKHKFMKJDN-UHFFFAOYSA-N
- SMILES： [O-][N+](C1C(=C(C=C(C=1)C(C)(C)C1C=CC=CC=1)[N+](=O)[O-])N)=O
Computed Properties
- Exact Mass: 301.10635
- Monoisotopic Mass: 301.10625597g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 22
- Rotatable Bond Count: 2
- 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: 4.2
- Topological Polar Surface Area: 118?2
Experimental Properties
- PSA: 112.3
Benzenamine, 4-(1-methyl-1-phenylethyl)-2,6-dinitro- Related Literature
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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