[4,beta-Dihydroxy-3-(Methylthio)Phenethyl][1-Methyl-3-(4-Methoxyphenyl)Propyl]Ammonium Acetate
[CAS# 66264-73-1]

Identification

• Name: [4,beta-Dihydroxy-3-(Methylthio)Phenethyl][1-Methyl-3-(4-Methoxyphenyl)Propyl]Ammonium Acetate
• Synonyms: [2-Hydroxy-2-(4-Hydroxy-3-Methylsulfanyl-Phenyl)Ethyl]-[3-(4-Methoxyphenyl)-1-Methyl-Propyl]Ammonium Acetate; [2-Hydroxy-2-[4-Hydroxy-3-(Methylthio)Phenyl]Ethyl]-[3-(4-Methoxyphenyl)-1-Methylpropyl]Ammonium Acetate; [2-Hydroxy-2-[4-Hydroxy-3-(Methylthio)Phenyl]Ethyl]-[3-(4-Methoxyphenyl)-1-Methyl-Propyl]Ammonium Acetate
• Molecular Formula: C₂₂H₃₁NO₅S
• Molecular Weight: 421.55
• CAS Registry Number: 66264-73-1
• EINECS: 266-287-1
• SMILES: C2=C(C(O)C[NH2+]C(CCC1=CC=C(OC)C=C1)C)C=CC(=C2SC)O.CC([O-])=O
• InChI: 1S/C20H27NO3S.C2H4O2/c1-14(4-5-15-6-9-17(24-2)10-7-15)21-13-19(23)16-8-11-18(22)20(12-16)25-3;1-2(3)4/h6-12,14,19,21-23H,4-5,13H2,1-3H3;1H3,(H,3,4)
• InChIKey: DXSZXNSHQYFKFQ-UHFFFAOYSA-N

Properties

• Boiling point: 548.3°C at 760 mmHg (Cal.)
• Flash point: 285.4°C (Cal.)