Cas no 23484-01-7 (Quinoline,6-(1,1-dimethylethyl)-4-nitro-, 1-oxide)
23484-01-7 structure
Product Name:Quinoline,6-(1,1-dimethylethyl)-4-nitro-, 1-oxide
CAS No:23484-01-7
MF:C13H14N2O3
MW:246.261863231659
CID:265251
PubChem ID:146755
Update Time:2025-04-19
Quinoline,6-(1,1-dimethylethyl)-4-nitro-, 1-oxide Chemical and Physical Properties
Names and Identifiers
-
- Quinoline,6-(1,1-dimethylethyl)-4-nitro-, 1-oxide
- 6-tert-butyl-4-nitro-1-oxidoquinolin-1-ium
- DTXSID00178051
- BRN 1249512
- Quinoline, 6-tert-butyl-4-nitro-, 1-oxide
- CHEMBL3244949
- 6-tert-Butyl-4-nitroquinoline 1-oxide
- 23484-01-7
-
- Inchi： 1S/C13H14N2O3/c1-13(2,3)9-4-5-11-10(8-9)12(15(17)18)6-7-14(11)16/h4-8H,1-3H3
- InChI Key： QUOJAXJCOKSDHL-UHFFFAOYSA-N
- SMILES： [O-][N+]1C=CC(=C2C=1C=CC(=C2)C(C)(C)C)[N+](=O)[O-]
Computed Properties
- Exact Mass: 246.10052
- Monoisotopic Mass: 246.10044231g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 18
- Rotatable Bond Count: 1
- Complexity: 321
- 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
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: nothing
- Topological Polar Surface Area: 71.3?2
Experimental Properties
- PSA: 70.08
Quinoline,6-(1,1-dimethylethyl)-4-nitro-, 1-oxide Related Literature
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Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
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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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Ruili Liu,Mengping Gao,Jing Zhang,Zhilian Li,Jinyang Chen,Ping Liu,Dongqing Wu RSC Adv., 2015,5, 24205-24209
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
23484-01-7 (Quinoline,6-(1,1-dimethylethyl)-4-nitro-, 1-oxide) Related Products
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