1-(beta-Dimethylaminoaethyl)-2-ethoxycarbonyl-3-ethoxy-6-chloro-indol-toluol-4-sulfonate
[CAS# 77941-23-2]

Identification

• Name: 1-(beta-Dimethylaminoaethyl)-2-ethoxycarbonyl-3-ethoxy-6-chloro-indol-toluol-4-sulfonate
• Synonyms: Ethyl 6-Chloro-1-(2-Dimethylaminoethyl)-3-Ethoxy-Indole-2-Carboxylate; 4-Methylbenzenesulfonic Acid; 6-Chloro-1-(2-Dimethylaminoethyl)-3-Ethoxy-2-Indolecarboxylic Acid Ethyl Ester; 4-Methylbenzenesulfonic Acid; 6-Chloro-1-(2-Dimethylaminoethyl)-3-Ethoxy-Indole-2-Carboxylic Acid Ethyl Ester; 4-Methylbenzenesulfonic Acid
• Molecular Formula: C₂₄H₃₁ClN₂O₆S
• Molecular Weight: 511.03
• CAS Registry Number: 77941-23-2
• SMILES: C1=C(Cl)C=CC2=C1[N](C(=C2OCC)C(OCC)=O)CCN(C)C.C3=C([S](=O)(=O)O)C=CC(=C3)C
• InChI: 1S/C17H23ClN2O3.C7H8O3S/c1-5-22-16-13-8-7-12(18)11-14(13)20(10-9-19(3)4)15(16)17(21)23-6-2;1-6-2-4-7(5-3-6)11(8,9)10/h7-8,11H,5-6,9-10H2,1-4H3;2-5H,1H3,(H,8,9,10)
• InChIKey: SMEUIVMAOMZIKD-UHFFFAOYSA-N

Properties

• Boiling point: 462.6°C at 760 mmHg (Cal.)
• Flash point: 233.6°C (Cal.)