Cas no 13029-07-7 (Benzenamine, N,N-diethyl-2,4,6-trinitro-)
13029-07-7 structure
Product Name:Benzenamine, N,N-diethyl-2,4,6-trinitro-
CAS No:13029-07-7
MF:C10H12N4O6
MW:284.225481987
CID:1225682
PubChem ID:3306408
Update Time:2025-04-20
Benzenamine, N,N-diethyl-2,4,6-trinitro- Chemical and Physical Properties
Names and Identifiers
-
- Benzenamine, N,N-diethyl-2,4,6-trinitro-
- N,N-diethyl-2,4,6-trinitroaniline
- MFCD00474550
- aniline, N.N-diethyl-2,4,6-trinitro-
- SR-01000078300
- 13029-07-7
- DTXSID90391277
- SR-01000078300-1
- AKOS001483771
-
- Inchi： 1S/C10H12N4O6/c1-3-11(4-2)10-8(13(17)18)5-7(12(15)16)6-9(10)14(19)20/h5-6H,3-4H2,1-2H3
- InChI Key： AQIKZDJABNWNMF-UHFFFAOYSA-N
- SMILES： [O-][N+](C1C=C(C=C(C=1N(CC)CC)[N+](=O)[O-])[N+](=O)[O-])=O
Computed Properties
- Exact Mass: 284.07576
- Monoisotopic Mass: 284.07568412g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 20
- Rotatable Bond Count: 3
- Complexity: 359
- 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: 2.3
- Topological Polar Surface Area: 141?2
Experimental Properties
- PSA: 132.66
Benzenamine, N,N-diethyl-2,4,6-trinitro- Related Literature
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
-
Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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