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Cas Database |
| Name |
2,3,3-Trimethyl-1-prop-2-enyl-indole |
EINECS | N/A |
| CAS No. | 20849-57-4 | Density | N/A |
| PSA | N/A | LogP | N/A |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C14H18N+ | Boiling Point | N/A |
| Molecular Weight | 327.208 | Flash Point | N/A |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
2,3,3-Trimethyl-1-(2-propenyl)-, iodide; |
Article Data | 1 |
2,3,3-Trimethyl-1-prop-2-enyl-indole Specification
The CAS registry number of 2,3,3-Trimethyl-1-prop-2-enyl-indole is 20849-57-4. Its molecular formula is C14H18N+ and molecular weight is 200.2989. Its systematic name and IUPAC name are the same which is called 2,3,3-trimethyl-1-(prop-2-en-1-yl)-3H-indolium.
Physical properties about this chemical are: (1)#H: bond: acceptors: 1; (2)#H: bond: donors: 0; (3)#Freely: Rotating: Bonds: 2; (4)Rotatable Bond: Count: 2; (5)Heavy Atom: Count: 16; (6)Complexity: 299; (7)Isotope Ato: Count: 0; (8)Covalently-Bonded Unit: Count: 2.
Preparation: this chemical can be prepared by 2,3,3-trimethyl-3H-indole and 3-iodo-propene. The reaction time is 5 hours with reaction temperature of 60 °C. The yield is about 44 %.
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You can still convert the following datas into molecular structure:
(1)SMILES: [N+]=2(c1ccccc1C(C=2C)(C)C)C\C=C
(2)InChI: InChI=1/C14H18N/c1-5-10-15-11(2)14(3,4)12-8-6-7-9-13(12)15/h5-9H,1,10H2,2-4H3/q+1
(3)InChIKey: GDMSLHZKWOMNDQ-UHFFFAOYAN
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