(8-Methyl-8-Azabicyclo[3.2.1]Octan-3-Yl) (2R)-3-Hydroxy-2-Phenylpropanoate sulfate
[CAS# 300-40-3]

Identification

• Name: (8-Methyl-8-Azabicyclo[3.2.1]Octan-3-Yl) (2R)-3-Hydroxy-2-Phenylpropanoate sulfate
• Synonyms: (8-Methyl-8-Azabicyclo[3.2.1]Octan-3-Yl) (2R)-3-Hydroxy-2-Phenyl-Propanoate; Sulfuric Acid; (2R)-3-Hydroxy-2-Phenylpropanoic Acid (8-Methyl-8-Azabicyclo[3.2.1]Octan-3-Yl) Ester; Sulfuric Acid; (2R)-3-Hydroxy-2-Phenyl-Propionic Acid (8-Methyl-8-Azabicyclo[3.2.1]Octan-3-Yl) Ester; Sulfuric Acid
• Molecular Formula: C₃₄H₄₈N₂O₁₀S
• Molecular Weight: 676.82
• CAS Registry Number: 300-40-3
• SMILES: [C@H]2(OC(=O)[C@H](C1=CC=CC=C1)CO)CC3N(C(C2)CC3)C.[C@H]5(OC(=O)[C@H](C4=CC=CC=C4)CO)CC6N(C(C5)CC6)C.O=[S](=O)(O)O
• InChI: 1S/2C17H23NO3.H2O4S/c2*1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12;1-5(2,3)4/h2*2-6,13-16,19H,7-11H2,1H3;(H2,1,2,3,4)/t2*13?,14?,15?,16-;/m00./s1
• InChIKey: HOBWAPHTEJGALG-ZXMPQTSBSA-N

Properties

• Boiling point: 429.8°C at 760 mmHg (Cal.)
• Flash point: 213.7°C (Cal.)