Cas no 25782-40-5 (2-Pyridinamine, 4-methyl-3,5-dinitro-)
25782-40-5 structure
Product Name:2-Pyridinamine, 4-methyl-3,5-dinitro-
CAS No:25782-40-5
MF:C6H6N4O4
MW:198.13624048233
CID:1424212
PubChem ID:5086399
Update Time:2025-04-20
2-Pyridinamine, 4-methyl-3,5-dinitro- Chemical and Physical Properties
Names and Identifiers
-
- 2-Pyridinamine, 4-methyl-3,5-dinitro-
- 4-methyl-3,5-dinitropyridin-2-amine
- AM62341
- amino-3,5-dinitro-4-methylpyridine
- AKOS006271727
- 2-amino-4-methyl-3,5-dinitro-pyridine
- 25782-40-5
- 2-Amino-3,5-dinitro-4-methylpyridine
- 2-amino-3,5-bisnitro-4-methylpyridine
- DB-306039
- AE-842/31985019
- SCHEMBL9131751
- FKNLSEYINSVKJL-UHFFFAOYSA-N
- 2-amino-4-methyl-3,5-dinitropyridine
-
- Inchi： 1S/C6H6N4O4/c1-3-4(9(11)12)2-8-6(7)5(3)10(13)14/h2H,1H3,(H2,7,8)
- InChI Key： FKNLSEYINSVKJL-UHFFFAOYSA-N
- SMILES： [O-][N+](C1C(N)=NC=C(C=1C)[N+](=O)[O-])=O
Computed Properties
- Exact Mass: 198.03898
- Monoisotopic Mass: 198.03890469g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 14
- Rotatable Bond Count: 0
- Complexity: 247
- 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: 1.1
- Topological Polar Surface Area: 131?2
Experimental Properties
- PSA: 125.19
2-Pyridinamine, 4-methyl-3,5-dinitro- Related Literature
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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
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Priyambada Nayak,Tanmaya Badapanda,Anil Kumar Singh,Simanchalo Panigrahi RSC Adv., 2017,7, 16319-16331
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Shivani Sharma,Chia-Ming Wu,Ranjit T. Koodali,N. Rajesh RSC Adv., 2016,6, 26668-26678
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Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
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