AC1O5J6P
2-[(E)-3-(1H-indol-3-yl)prop-2-enoyl]oxyethyl-trimethylazanium iodide
Also Known As: beta-Dimethylaminoethyl trans-beta-(3-indolyl)acrylate methiodide|(E)-2-((3-(1H-Indol-3-yl)-1-oxo-2-propenyl)oxy)-N,N,N-trimethylethanaminium iodide|Ethanaminium, 2-((3-(1H-indol-3-yl)-1-oxo-2-propenyl)oxy)-N,N,N-trimethyl-, iodide, (E)-|2-[(E)-3-(1H-indol-3-yl)prop-2-enoyl]oxyethyl-trimethylazanium iodide|ETHANAMINIUM, 2-((3-(1H-INDOL-3-YL)-1-OXO-2-PROPENYL)OXY)-N,N,N-TRIMETHYL-, IODI
| Molecular Formula | C16H21IN2O2 |
|---|---|
| Molecular Weight | 400.0648 g/mol |
| LogP | -0.5655 |
| Topological Polar Surface Area | 42.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 400.0648 |
| Monoisotopic Mass | 400.0648 |
| Heavy Atoms | 21 |
| Complexity | 626.4838 |
Chemical Identifiers
| CAS Number | 70882-55-2 |
|---|---|
| SMILES | C[N+](C)(C)CCOC(=O)/C=C/C1=CNC2=CC=CC=C21.[I-] |
Product Overview
AC1O5J6P (CAS 70882-55-2), with molecular formula C16H21IN2O2 and molecular weight 400.0648 g/mol. IUPAC: 2-[(E)-3-(1H-indol-3-yl)prop-2-enoyl]oxyethyl-trimethylazanium iodide.
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