Cas no 88491-76-3 (4-Pyridinamine, compd. with 1,3,5-trinitrobenzene (2:1))
88491-76-3 structure
Product Name:4-Pyridinamine, compd. with 1,3,5-trinitrobenzene (2:1)
CAS No:88491-76-3
MF:C16H15N7O6
MW:401.333602190018
CID:630694
PubChem ID:71318345
Update Time:2025-04-19
4-Pyridinamine, compd. with 1,3,5-trinitrobenzene (2:1) Chemical and Physical Properties
Names and Identifiers
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- 4-Pyridinamine, compd. with 1,3,5-trinitrobenzene (2:1)
- pyridin-4-amine,1,3,5-trinitrobenzene
- 88491-76-3
- Pyridin-4-amine--1,3,5-trinitrobenzene (2/1)
- DTXSID50748480
-
- Inchi： 1S/C6H3N3O6.2C5H6N2/c10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15;2*6-5-1-3-7-4-2-5/h1-3H;2*1-4H,(H2,6,7)
- InChI Key： MQOURNNYKJMZNJ-UHFFFAOYSA-N
- SMILES： [O-][N+](C1C=C(C=C(C=1)[N+](=O)[O-])[N+](=O)[O-])=O.NC1C=CN=CC=1.NC1C=CN=CC=1
Computed Properties
- Exact Mass: 401.10838122g/mol
- Monoisotopic Mass: 401.10838122g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 10
- Heavy Atom Count: 29
- Rotatable Bond Count: 0
- Complexity: 277
- Covalently-Bonded Unit Count: 3
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 215?2
4-Pyridinamine, compd. with 1,3,5-trinitrobenzene (2:1) Related Literature
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
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Priyambada Nayak,Tanmaya Badapanda,Anil Kumar Singh,Simanchalo Panigrahi RSC Adv., 2017,7, 16319-16331
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
88491-76-3 (4-Pyridinamine, compd. with 1,3,5-trinitrobenzene (2:1)) Related Products
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