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CAS No.: | 50839-66-2 |
---|---|
Name: | 1-(2-Hydroxyethyl)-2,3,3-trimethyl-3H-indolium iodide |
Article Data: | 12 |
Molecular Structure: | |
Formula: | C13H18NO.I |
Molecular Weight: | 331.197 |
Synonyms: | 3H-Indolium,1-(2-hydroxyethyl)-2,3,3-trimethyl-, iodide (9CI); |
Boiling Point: | 168-169 ºC |
PSA: | 23.24000 |
LogP: | -0.96220 |
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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