3-(8-Methyl-8-Azabicyclo[3.2.1]Octan-3-Yl)-2-Phenylsulfanylpropanoic Acid
[CAS# 155058-80-3]

Identification

• Name: 3-(8-Methyl-8-Azabicyclo[3.2.1]Octan-3-Yl)-2-Phenylsulfanylpropanoic Acid
• Synonyms: 3-(8-Methyl-8-Azabicyclo[3.2.1]Octan-3-Yl)-2-Phenylsulfanyl-Propanoic Acid; 3-(8-Methyl-8-Azabicyclo[3.2.1]Octan-3-Yl)-2-(Phenylthio)Propanoic Acid; 3-(8-Methyl-8-Azabicyclo[3.2.1]Octan-3-Yl)-2-(Phenylthio)Propionic Acid
• Molecular Formula: C₁₇H₂₃NO₂S
• Molecular Weight: 305.43
• CAS Registry Number: 155058-80-3
• SMILES: C1=CC=CC=C1SC(C(=O)O)CC2CC3CCC(C2)N3C
• InChI: 1S/C17H23NO2S/c1-18-13-7-8-14(18)10-12(9-13)11-16(17(19)20)21-15-5-3-2-4-6-15/h2-6,12-14,16H,7-11H2,1H3,(H,19,20)
• InChIKey: LFGIXRSSSRADHA-UHFFFAOYSA-N

Properties

• Density: 1.221g/cm³ (Cal.)
• Boiling point: 452.252°C at 760 mmHg (Cal.)
• Flash point: 227.314°C (Cal.)