3-[4-(4-Amino-1-piperidinyl)-3-(3,5-difluorophenyl)-6-quinolinyl]-2-hydroxybenzonitrile
[CAS# 2172870-89-0]

Identification

• Name: 3-[4-(4-Amino-1-piperidinyl)-3-(3,5-difluorophenyl)-6-quinolinyl]-2-hydroxybenzonitrile
• Synonyms: Paltusotine
• Molecular Formula: C₂₇H₂₂F₂N₄O
• Molecular Weight: 456.49
• CAS Registry Number: 2172870-89-0
• SMILES: N#CC=1C=CC=C(C=2C=CC3=NC=C(C4=CC(F)=CC(F)=C4)C(=C3C2)N5CCC(N)CC5)C1O

Properties

• Solubility: Insoluble (3.7E^-4 g/L g/L) (25 °C), Calc.^*
• pKa: 5.89±0.10 (Most acidic 25 °C), Calc.^*
• Density: 1.41±0.1 g/cm³ (20 °C 760 Torr), Calc.^*
• Boiling point: 640.4±55.0 °C (760 Torr), Calc.^*
• Flash point: 341.1±31.5 °C, Calc.^*

^* Calculated using Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2022 ACD/Labs)