Cas no 57883-27-9 (Quinoline, 1,2,3,4-tetrahydro-1-methyl-5,7-dinitro-)
57883-27-9 structure
Product Name:Quinoline, 1,2,3,4-tetrahydro-1-methyl-5,7-dinitro-
CAS No:57883-27-9
MF:C10H11N3O4
MW:237.212042093277
CID:343881
PubChem ID:12288366
Update Time:2025-04-19
Quinoline, 1,2,3,4-tetrahydro-1-methyl-5,7-dinitro- Chemical and Physical Properties
Names and Identifiers
-
- Quinoline, 1,2,3,4-tetrahydro-1-methyl-5,7-dinitro-
- 1-methyl-5,7-dinitro-3,4-dihydro-2H-quinoline
- DTXSID10484690
- 57883-27-9
-
- Inchi： 1S/C10H11N3O4/c1-11-4-2-3-8-9(11)5-7(12(14)15)6-10(8)13(16)17/h5-6H,2-4H2,1H3
- InChI Key： FSZJDVCPZGUGRQ-UHFFFAOYSA-N
- SMILES： [O-][N+](C1=CC(=CC2=C1CCCN2C)[N+](=O)[O-])=O
Computed Properties
- Exact Mass: 237.07503
- Monoisotopic Mass: 237.07495584g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 17
- Rotatable Bond Count: 0
- Complexity: 325
- 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: 2.1
- Topological Polar Surface Area: 94.9?2
Experimental Properties
- PSA: 89.52
Quinoline, 1,2,3,4-tetrahydro-1-methyl-5,7-dinitro- Related Literature
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
-
Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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