Cas no 56153-31-2 ( )
structure
Product Name:
CAS No:56153-31-2
MF:C13H14INO2
MW:343.160235881805
CID:944977
PubChem ID:24192347
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- ethyl 1-methylquinolin-1-ium-2-carboxylate,iodide
- NSC138310
- NSC-138310
- 2-(Ethoxycarbonyl)-1-methylquinolin-1-ium iodide
- DS-010957
- ethyl 1-methyl-2H-quinoline-2-carboxylate
- 56153-31-2
- DTXSID20638167
-
-
- Inchi： 1S/C13H14NO2.HI/c1-3-16-13(15)12-9-8-10-6-4-5-7-11(10)14(12)2;/h4-9H,3H2,1-2H3;1H/q+1;/p-1
- InChI Key： OPLSIDOMSVENIK-UHFFFAOYSA-M
- SMILES： [I-].O(CC)C(C1=CC=C2C=CC=CC2=[N+]1C)=O
Computed Properties
- Exact Mass: 217.11035
- Monoisotopic Mass: 343.00693g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 17
- Rotatable Bond Count: 3
- Complexity: 254
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 30.2?2
Experimental Properties
- PSA: 29.54
- LogP: -1.15500
Related Literature
-
Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
-
Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
-
Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
-
David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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