AC1MHZBE
ethyl 6-chloro-1-[2-(dimethylamino)ethyl]-3-ethoxyindole-2-carboxylate;4-methylbenzenesulfonic acid
Also Known As: 1H-Indole-2-carboxylic acid, 6-chloro-1-(2-(dimethylamino)ethyl)-3-ethoxy-, ethyl ester, 4-methylbenzenesulfonate|1-(beta-Dimethylaminoaethyl)-2-ethoxycarbonyl-3-ethoxy-6-chlor-indol-toluol-4-sulfonat|4-Methylbenzene-1-sulfonic acid--ethyl 6-chloro-1-[2-(dimethylamino)ethyl]-3-ethoxy-1H-indole-2-carboxylate (1/1)|ethyl 6-chloro-1-(2-dimethylaminoethyl)-3-ethoxy-indole-2-carboxylate; 4-methylbenzenesulfonic acid|ethyl 6-chloro-1-(2-dimethylaminoethyl)-3-ethoxyindole-2-carboxylate; 4-methylbenzenesulfonic acid|ethyl 6-chloro-1-[2-(dimethylamino)ethyl]-3-ethoxyindole-2-carboxylate,4-methylbenzenesulfonic acid
| Molecular Formula | C24H31ClN2O6S |
|---|---|
| Molecular Weight | 510.15915 g/mol |
| LogP | 4.67342 |
| Topological Polar Surface Area | 98.07 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 510.15915 |
| Monoisotopic Mass | 510.15915 |
| Heavy Atoms | 34 |
| Complexity | 1220.4841 |
Chemical Identifiers
| CAS Number | 77941-23-2 |
|---|---|
| SMILES | CCOC1=C(N(C2=C1C=CC(=C2)Cl)CCN(C)C)C(=O)OCC.CC1=CC=C(C=C1)S(=O)(=O)O |
Product Overview
AC1MHZBE (CAS 77941-23-2), with molecular formula C24H31ClN2O6S and molecular weight 510.15915 g/mol. IUPAC: ethyl 6-chloro-1-[2-(dimethylamino)ethyl]-3-ethoxyindole-2-carboxylate;4-methylbenzenesulfonic acid.