2-Chloro-4-[(1R,5S)-3-hydroxy-3-methyl-8-azabicyclo[3.2.1]octan-8-yl]-3-methylbenzonitrile
[CAS# 899821-23-9]

Identification

• Name: 2-Chloro-4-[(1R,5S)-3-hydroxy-3-methyl-8-azabicyclo[3.2.1]octan-8-yl]-3-methylbenzonitrile
• Molecular Formula: C₁₆H₁₉ClN₂O
• Molecular Weight: 290.79
• CAS Registry Number: 899821-23-9
• SMILES: CC1=C(C=CC(=C1Cl)C#N)N2[C@@H]3CC[C@H]2CC(C3)(C)O

Properties

• Density: 1.3±0.1 g/cm³, Calc.^*
• Index of Refraction: 1.617, Calc.^*
• Boiling Point: 479.8±45.0 °C (760 mmHg), Calc.^*
• Flash Point: 243.9±28.7 °C, Calc.^*

^* Calculated using Advanced Chemistry Development (ACD/Labs) Software.