2-Propyn-1-Yl 1-Methyl-1,2,5,6-Tetrahydro-3-Pyridinecarboxylate 4-Methylbenzenesulfonate (1:1)
[CAS# 147202-94-6]

Identification

• Name: 2-Propyn-1-Yl 1-Methyl-1,2,5,6-Tetrahydro-3-Pyridinecarboxylate 4-Methylbenzenesulfonate (1:1)
• Synonyms: [147202-94-6]; Arecaidine propargyl ester tosylate
• Molecular Formula: C₁₇H₂₁NO₅S
• Molecular Weight: 351.42
• CAS Registry Number: 147202-94-6
• SMILES: CC1=CC=C(C=C1)S(=O)(=O)O.CN1CCC=C(C1)C(=O)OCC#C
• InChI: 1S/C10H13NO2.C7H8O3S/c1-3-7-13-10(12)9-5-4-6-11(2)8-9;1-6-2-4-7(5-3-6)11(8,9)10/h1,5H,4,6-8H2,2H3;2-5H,1H3,(H,8,9,10)
• InChIKey: LYHWIOMAWPVTPI-UHFFFAOYSA-N

Properties

• Refractive index: (Cal.)
• solubility: Soluble to 100 mM in water