Cas no 33241-28-0 (2-ethyl-3-methyl-4-nitroquinoline 1-oxide)
33241-28-0 structure
Product Name:2-ethyl-3-methyl-4-nitroquinoline 1-oxide
CAS No:33241-28-0
MF:C12H12N2O3
MW:232.235282897949
CID:1460874
PubChem ID:147441
Update Time:2025-04-20
2-ethyl-3-methyl-4-nitroquinoline 1-oxide Chemical and Physical Properties
Names and Identifiers
-
- 2-ethyl-3-methyl-4-nitroquinoline 1-oxide
- Quinoline, 2-ethyl-3-methyl-4-nitro-, 1-oxide
- 2-ethyl-3-methyl-4-nitro-1-oxidoquinolin-1-ium
- DTXSID80186891
- CHEMBL3244938
- 33241-28-0
-
- Inchi： 1S/C12H12N2O3/c1-3-10-8(2)12(14(16)17)9-6-4-5-7-11(9)13(10)15/h4-7H,3H2,1-2H3
- InChI Key： JVPFKNQZFFMUFJ-UHFFFAOYSA-N
- SMILES： [O-][N+]1C2C=CC=CC=2C(=C(C)C=1CC)[N+](=O)[O-]
Computed Properties
- Exact Mass: 232.08486
- Monoisotopic Mass: 232.08479225g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 17
- Rotatable Bond Count: 1
- Complexity: 292
- 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: 2.2
- Topological Polar Surface Area: 71.3?2
Experimental Properties
- PSA: 70.08
2-ethyl-3-methyl-4-nitroquinoline 1-oxide Related Literature
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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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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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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