1-(delta-Dimethylaminobutyl)-2-methoxycarbonyl-3-methoxy-indol-toluol-4-sulfonate
[CAS# 77941-17-4]

Identification

• Name: 1-(delta-Dimethylaminobutyl)-2-methoxycarbonyl-3-methoxy-indol-toluol-4-sulfonate
• Synonyms: 4-Methylbenzenesulfonic Acid; Methyl 1-(4-Dimethylaminobutyl)-3-Methoxy-Indole-2-Carboxylate; 1-(4-Dimethylaminobutyl)-3-Methoxy-2-Indolecarboxylic Acid Methyl Ester; 4-Methylbenzenesulfonic Acid; 1-(4-Dimethylaminobutyl)-3-Methoxy-Indole-2-Carboxylic Acid Methyl Ester; 4-Methylbenzenesulfonic Acid
• Molecular Formula: C₂₄H₃₂N₂O₆S
• Molecular Weight: 476.59
• CAS Registry Number: 77941-17-4
• SMILES: C1=C([S](=O)(=O)O)C=CC(=C1)C.C2=CC=CC3=C2[N](C(=C3OC)C(OC)=O)CCCCN(C)C
• InChI: 1S/C17H24N2O3.C7H8O3S/c1-18(2)11-7-8-12-19-14-10-6-5-9-13(14)16(21-3)15(19)17(20)22-4;1-6-2-4-7(5-3-6)11(8,9)10/h5-6,9-10H,7-8,11-12H2,1-4H3;2-5H,1H3,(H,8,9,10)
• InChIKey: KJJRZIXCVBMGHN-UHFFFAOYSA-N

Properties

• Boiling point: 443.3°C at 760 mmHg (Cal.)
• Flash point: 221.9°C (Cal.)