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Cas Database |
| Name |
1-Ethyl-3-methylimidazolium acetate |
EINECS | N/A |
| CAS No. | 143314-17-4 | Density | 1.027 g/cm 3 at 25 °C |
| PSA | 48.94000 | LogP | -0.91130 |
| Solubility | Soluble in water, acetonitrile, acetone, dichloromethane. | Melting Point |
-20℃ |
| Formula | C8H14N2O2 | Boiling Point | N/A |
| Molecular Weight | 170.211 | Flash Point | 164 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | 23-26-37-60 | Risk Codes | 36/37/38 |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
3-Ethyl-1-methyl-imidazole acetate; |
Article Data | 37 |
1-Ethyl-3-methylimidazolium acetate Specification
1. Introduction of 1-Ethyl-3-methylimidazolium acetate
1-Ethyl-3-methylimidazolium acetate, with the CAS registry number 143314-17-4, is also known as 3-Ethyl-1-methyl-imidazole acetate. This chemical's molecular formula is C8H14N2O2 and molecular weight is 170.20896. Its IUPAC name is called 1-ethyl-3-methylimidazol-3-ium acetate. What's more, the product should be sealed and stored in cool, dry and well-ventilated place.
2. Properties of 1-Ethyl-3-methylimidazolium acetate
Physical properties of 1-Ethyl-3-methylimidazolium acetate: (1)H-Bond Donor: 0; (2)H-Bond Acceptor: 2; (3)Rotatable Bond Count: 1; (4)Exact Mass: 170.105528; (5)MonoIsotopic Mass: 170.105528; (6)Topological Polar Surface Area: 48.9; (7)Heavy Atom Count: 12; (8)Formal Charge: 0; (9)Complexity: 98.4; (10)Covalently-Bonded Unit Count: 2.
3. Structure Descriptors of 1-Ethyl-3-methylimidazolium acetate
(1)Canonical SMILES: CCN1C=C[N+](=C1)C.CC(=O)[O-]
(2)InChI: InChI=1S/C6H11N2.C2H4O2/c1-3-8-5-4-7(2)6-8;1-2(3)4/h4-6H,3H2,1-2H3;1H3,(H,3,4)/q+1;/p-1
(3)InChIKey: XIYUIMLQTKODPS-UHFFFAOYSA-M
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