Cas no 22902-71-2 (3-Pyridinamine,N-methyl-2,6-dinitro-)
22902-71-2 structure
Product Name:3-Pyridinamine,N-methyl-2,6-dinitro-
CAS No:22902-71-2
MF:C6H6N4O4
MW:198.13624048233
CID:251479
Update Time:2024-01-26
3-Pyridinamine,N-methyl-2,6-dinitro- Chemical and Physical Properties
Names and Identifiers
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- 3-Pyridinamine,N-methyl-2,6-dinitro-
- Pyridine,3-(methylamino)-2,6-dinitro- (8CI)
- Pyridine, 3-(methylamino)-2,6-dinitro- (8CI)
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- Inchi: 1S/C6H6N4O4/c1-7-4-2-3-5(9(11)12)8-6(4)10(13)14/h2-3,7H,1H3
- InChI Key: YKZHMYYQFKZDAS-UHFFFAOYSA-N
- SMILES: C1([N+]([O-])=O)=NC([N+]([O-])=O)=CC=C1NC
Computed Properties
- Exact Mass: 198.03898
- Monoisotopic Mass: 198.039
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 14
- Rotatable Bond Count: 1
- Complexity: 235
- 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
- Topological Polar Surface Area: 117A^2
Experimental Properties
- PSA: 111.2
3-Pyridinamine,N-methyl-2,6-dinitro- Related Literature
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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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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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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