Cas no 649538-29-4 (3,5-Pyridinediamine, 2,4,6-trinitro-)
649538-29-4 structure
Product Name:3,5-Pyridinediamine, 2,4,6-trinitro-
CAS No:649538-29-4
MF:C5H4N6O6
MW:244.121859550476
CID:411687
PubChem ID:71377918
Update Time:2025-04-19
3,5-Pyridinediamine, 2,4,6-trinitro- Chemical and Physical Properties
Names and Identifiers
-
- 3,5-Pyridinediamine, 2,4,6-trinitro-
- 2,4,6-trinitropyridine-3,5-diamine
- DTXSID80800545
- 3,5-diamino-2,4,6-trinitropyridine
- 649538-29-4
-
- Inchi： 1S/C5H4N6O6/c6-1-3(9(12)13)2(7)5(11(16)17)8-4(1)10(14)15/h6-7H2
- InChI Key： WCSNWSDIYLJOGB-UHFFFAOYSA-N
- SMILES： [O-][N+](C1C(=C([N+](=O)[O-])N=C(C=1N)[N+](=O)[O-])N)=O
Computed Properties
- Exact Mass: 244.01932
- Monoisotopic Mass: 244.01923187g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 9
- Heavy Atom Count: 17
- Rotatable Bond Count: 0
- Complexity: 318
- 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: 0.7
- Topological Polar Surface Area: 202?2
Experimental Properties
- PSA: 194.35
3,5-Pyridinediamine, 2,4,6-trinitro- Related Literature
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
-
Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
649538-29-4 (3,5-Pyridinediamine, 2,4,6-trinitro-) Related Products
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- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
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- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
- 941977-17-9(N'-(3-chloro-2-methylphenyl)-N-2-(dimethylamino)-2-(naphthalen-1-yl)ethylethanediamide)
- 2138166-62-6(2,2-Difluoro-3-[methyl(2-methylbutyl)amino]propanoic acid)
- 89640-58-4(2-Iodo-4-nitrophenylhydrazine)
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