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Cas Database |
| Name |
1-(2-Hydroxyethyl)-2,3,3-trimethyl-3H-indolium iodide |
EINECS | N/A |
| CAS No. | 50839-66-2 | Density | N/A |
| PSA | 23.24000 | LogP | -0.96220 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C13H18NO.I | Boiling Point | 168-169 ºC |
| Molecular Weight | 331.197 | Flash Point | N/A |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
3H-Indolium,1-(2-hydroxyethyl)-2,3,3-trimethyl-, iodide (9CI); |
Article Data | 12 |
1-(2-Hydroxyethyl)-2,3,3-trimethyl-3H-indolium iodide Specification
The 1-(2-Hydroxyethyl)-2,3,3-trimethyl-3H-indolium iodide, with CAS registry number 50839-66-2, has the systematic name of 3H-indolium, 1-(2-hydroxyethyl)-2,3,3-trimethyl-, iodide (1:1). And it is also called 1-(2-Hydroxyethyl)-2,3,3-trimethyl-3H-indolium iodide.
You can still convert the following datas into molecular structure:
(1)SMILES: CC1=[N+](c2ccccc2C1(C)C)CCO.[I-]
(2)InChI: InChI=1/C13H18NO.HI/c1-10-13(2,3)11-6-4-5-7-12(11)14(10)8-9-15;/h4-7,15H,8-9H2,1-3H3;1H/q+1;/p-1
(3)InChIKey: YSFWRUFAUVRBMQ-REWHXWOFAJ
(4)Std. InChI: InChI=1S/C13H18NO.HI/c1-10-13(2,3)11-6-4-5-7-12(11)14(10)8-9-15;/h4-7,15H,8-9H2,1-3H3;1H/q+1;/p-1
(5)Std. InChIKey: YSFWRUFAUVRBMQ-UHFFFAOYSA-M
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