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CAS No.: | 605-59-4 |
---|---|
Name: | 1-Ethyl-4-methylquinolinium iodide |
Article Data: | 18 |
Molecular Structure: | |
Formula: | C12H14IN |
Molecular Weight: | 299.154 |
Synonyms: | 1-Ethyllepidiniumiodide (6CI,7CI);Lepidinium, 1-ethyl-, iodide (8CI);Quinolinium,1-ethyl-4-methyl-, iodide (9CI);1-Ethyl-4-methylquinolinium iodide;4-Methylquinoline ethiodide;Lepidine ethiodide;Lepidinium ethiodide;N-Ethyllepidinium iodide; |
Melting Point: | 143-146 °C(lit.) |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36 |
PSA: | 3.88000 |
LogP: | -0.54040 |
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The CAS register number of 1-Ethyl-4-methylquinolinium iodide is 605-59-4. It also can be called as Quinolinium, 1-ethyl-4-methyl-, iodide (1:1) and the IUPAC name about this chemical is 1-ethyl-4-methylquinolin-1-ium iodide. The molecular formula about this chemical is C12H14IN and molecular weight is 299.15.
Physical properties about 1-Ethyl-4-methylquinolinium iodide are: (1)#H bond acceptors: 1; (2)#Freely Rotating Bonds: 1; (3)Polar Surface Area: 3.88Å2; (4)H-Bond Acceptor: 1; (5)Rotatable Bond Count: 1; (6)Exact Mass: 299.017092; (7)MonoIsotopic Mass: 299.017092; (8)Topological Polar Surface Area: 3.9; (9)Heavy Atom Count: 14; (10)Complexity: 167.
Uses of 1-Ethyl-4-methylquinolinium iodide: it can be used to produce 1-ethyl-4-methyl-2-trichloromethyl-1,2-dihydro-quinoline with trichloroacetic acid; sodium salt at temperature of 0 - 5 ℃. This reaction will need solvent acetonitrile with reaction time of 2 hours. The yield is about 90%.
When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: [I-].c12ccccc1c(cc[n+]2CC)C
(2)InChI: InChI=1/C12H14N.HI/c1-3-13-9-8-10(2)11-6-4-5-7-12(11)13;/h4-9H,3H2,1-2H3;1H/q+1;/p-1
(3)InChIKey: VQDKCFLPUPEBJC-REWHXWOFAB
(4)Std. InChI: InChI=1S/C12H14N.HI/c1-3-13-9-8-10(2)11-6-4-5-7-12(11)13;/h4-9H,3H2,1-2H3;1H/q+1;/p-1
(5)Std. InChIKey: VQDKCFLPUPEBJC-UHFFFAOYSA-M