ChemSpider 2D Image | N-{(1S)-1-[8-Chloro-2-(3-fluorophenyl)-3-quinolinyl]ethyl}-9H-purin-6-amine | C22H16ClFN6

N-{(1S)-1-[8-Chloro-2-(3-fluorophenyl)-3-quinolinyl]ethyl}-9H-purin-6-amine

  • Molecular FormulaC22H16ClFN6
  • Average mass418.854 Da
  • Monoisotopic mass418.110901 Da
  • ChemSpider ID35035306

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

3-Quinolinemethanamine, 8-chloro-2-(3-fluorophenyl)-α-methyl-N-9H-purin-6-yl-, (αS)- [ACD/Index Name]
N-{(1S)-1-[8-Chlor-2-(3-fluorphenyl)-3-chinolinyl]ethyl}-9H-purin-6-amin [German] [ACD/IUPAC Name]
N-{(1S)-1-[8-Chloro-2-(3-fluorophényl)-3-quinoléinyl]éthyl}-9H-purin-6-amine [French] [ACD/IUPAC Name]
N-{(1S)-1-[8-Chloro-2-(3-fluorophenyl)-3-quinolinyl]ethyl}-9H-purin-6-amine [ACD/IUPAC Name]
N-{(1s)-1-[8-Chloro-2-(3-Fluorophenyl)quinolin-3-Yl]ethyl}-9h-Purin-6-Amine
3VD

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.5±0.1 g/cm3
Boiling Point: 712.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.2±3.0 kJ/mol
Flash Point: 384.7±32.9 °C
Index of Refraction: 1.748
Molar Refractivity: 116.9±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.34
ACD/LogD (pH 5.5): 5.22
ACD/BCF (pH 5.5): 5410.81
ACD/KOC (pH 5.5): 16336.79
ACD/LogD (pH 7.4): 5.22
ACD/BCF (pH 7.4): 5422.65
ACD/KOC (pH 7.4): 16372.54
Polar Surface Area: 79 Å2
Polarizability: 46.4±0.5 10-24cm3
Surface Tension: 71.6±3.0 dyne/cm
Molar Volume: 287.7±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement