Cas no 55702-49-3 (Benzenamine, N-(1-methylpropyl)-2,6-dinitro-)
55702-49-3 structure
Product Name:Benzenamine, N-(1-methylpropyl)-2,6-dinitro-
CAS No:55702-49-3
MF:C10H13N3O4
MW:239.227922201157
CID:2671803
Update Time:2023-08-06
Benzenamine, N-(1-methylpropyl)-2,6-dinitro- Chemical and Physical Properties
Names and Identifiers
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- N-(1-Methylpropyl)-2,6-dinitrobenzenamine
- Benzenamine, N-(1-methylpropyl)-2,6-dinitro-
- MDXPRXYGYOMMKQ-UHFFFAOYSA-N
- N-(Sec-butyl)-2,6-dinitroaniline #
-
- Inchi： 1S/C10H13N3O4/c1-3-7(2)11-10-8(12(14)15)5-4-6-9(10)13(16)17/h4-7,11H,3H2,1-2H3
- InChI Key： MDXPRXYGYOMMKQ-UHFFFAOYSA-N
- SMILES： [O-][N+](C1C=CC=C(C=1NC(C)CC)[N+](=O)[O-])=O
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 17
- Rotatable Bond Count: 3
- Complexity: 264
- Topological Polar Surface Area: 104
Benzenamine, N-(1-methylpropyl)-2,6-dinitro- Related Literature
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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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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