Cas no 61862-87-1 (Quinoline, 1-butyl-1,2,3,4-tetrahydro-6,7-dinitro-)
61862-87-1 structure
Product Name:Quinoline, 1-butyl-1,2,3,4-tetrahydro-6,7-dinitro-
CAS No:61862-87-1
MF:C13H17N3O4
MW:279.291783094406
CID:464200
PubChem ID:12288373
Update Time:2025-04-19
Quinoline, 1-butyl-1,2,3,4-tetrahydro-6,7-dinitro- Chemical and Physical Properties
Names and Identifiers
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- Quinoline, 1-butyl-1,2,3,4-tetrahydro-6,7-dinitro-
- 1-butyl-6,7-dinitro-3,4-dihydro-2H-quinoline
- DTXSID30484697
- 61862-87-1
-
- Inchi: 1S/C13H17N3O4/c1-2-3-6-14-7-4-5-10-8-12(15(17)18)13(16(19)20)9-11(10)14/h8-9H,2-7H2,1H3
- InChI Key: KDBVRGLFZADURL-UHFFFAOYSA-N
- SMILES: [O-][N+](C1C(=CC2=C(C=1)N(CCCC)CCC2)[N+](=O)[O-])=O
Computed Properties
- Exact Mass: 279.12201
- Monoisotopic Mass: 279.12190603g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 20
- Rotatable Bond Count: 3
- Complexity: 366
- 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: 3.3
- Topological Polar Surface Area: 94.9?2
Experimental Properties
- PSA: 89.52
Quinoline, 1-butyl-1,2,3,4-tetrahydro-6,7-dinitro- Related Literature
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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Zhonghua Xiang,Chuanqi Fang,Sanhua Leng,Dapeng Cao J. Mater. Chem. A, 2014,2, 7662-7665
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
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4. An integrated chip for immunofluorescence and its application to analyze lysosomal storage disordersJie Shen,Ying Zhou,Tu Lu,Junya Peng,Zhixiang Lin,Yuhong Pang,Li Yu Lab Chip, 2012,12, 317-324
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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