AC1L4XTZ
3-(1,4,4-trimethylpiperazine-1,4-diium-1-yl)propyl 2,2,4,4-tetramethylpentanoate diiodide
Also Known As: KST-1B3876|3-(4-Methyl-1-piperazinyl)propyl 2,2,4,4-tetramethylvalerate dimethiodide|1,1,4-trimethyl-4-{3-[(2,2,4,4-tetramethylpentanoyl)oxy]propyl}piperazinediium diiodide|1-(3-(2,2,4,4-Tetramethylvaleryloxy)propyl)-1,4,4-trimethylpiperazinium diiodide|Piperazinium, 1-(3-(2,2,4,4-tetramethylvaleryloxy)propyl)-1,4,4-trimethyl-, diiodide|Valeric acid, 2,2,4,4-tetramethyl-, 3-(4-methyl-1-piperazinyl)propyl ester, dimethiodide|3-(1,4,4-trimethylpiperazine-1,4-diium-1-yl)propyl 2,2,4,4-tetramethylpentanoate diiodide|Piperazinium, 1-(3-hydroxypropyl)-1,4,4-trimethyl-, diiodide, 2,2,4,4-tetramethylvalerate|1,1,4-Trimethyl-4-{3-[(2,2,4,4-tetramethylpentanoyl)oxy]propyl}piperazine-1,4-diium diiodide
| Molecular Formula | C19H40I2N2O2 |
|---|---|
| Molecular Weight | 582.1179 g/mol |
| LogP | -3.0733 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 582.1179 |
| Monoisotopic Mass | 582.1179 |
| Heavy Atoms | 25 |
| Complexity | 398.0 |
Chemical Identifiers
| CAS Number | 392-47-2 |
|---|---|
| SMILES | CC(C)(C)CC(C)(C)C(=O)OCCC[N+]1(CC[N+](CC1)(C)C)C.[I-].[I-] |
| InChIKey | VZBQNJNRCFETAH-UHFFFAOYSA-L |
Product Overview
AC1L4XTZ (CAS 392-47-2), with molecular formula C19H40I2N2O2 and molecular weight 582.1179 g/mol. IUPAC: 3-(1,4,4-trimethylpiperazine-1,4-diium-1-yl)propyl 2,2,4,4-tetramethylpentanoate diiodide.