ChemSpider 2D Image | (1R)-1-[2-(2-Methyl-2-propanyl)-4-quinolinyl]-3-(4-piperidinyl)-1-propanol | C21H30N2O

(1R)-1-[2-(2-Methyl-2-propanyl)-4-quinolinyl]-3-(4-piperidinyl)-1-propanol

  • Molecular FormulaC21H30N2O
  • Average mass326.476 Da
  • Monoisotopic mass326.235809 Da
  • ChemSpider ID32809561
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(1R)-1-[2-(2-Methyl-2-propanyl)-4-chinolinyl]-3-(4-piperidinyl)-1-propanol [German] [ACD/IUPAC Name]
(1R)-1-[2-(2-Méthyl-2-propanyl)-4-quinoléinyl]-3-(4-pipéridinyl)-1-propanol [French] [ACD/IUPAC Name]
(1R)-1-[2-(2-Methyl-2-propanyl)-4-quinolinyl]-3-(4-piperidinyl)-1-propanol [ACD/IUPAC Name]
4-Quinolinemethanol, 2-(1,1-dimethylethyl)-α-[2-(4-piperidinyl)ethyl]-, (αR)- [ACD/Index Name]
86024-64-8 [RN]
quinacainol [INN]
UNII-5OX8977NGO

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 468.0±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 76.9±3.0 kJ/mol
Flash Point: 236.8±24.6 °C
Index of Refraction: 1.564
Molar Refractivity: 100.7±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.61
ACD/LogD (pH 5.5): 0.29
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.89
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.58
Polar Surface Area: 45 Å2
Polarizability: 39.9±0.5 10-24cm3
Surface Tension: 42.5±3.0 dyne/cm
Molar Volume: 309.5±3.0 cm3

Click to predict properties on the Chemicalize site






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