ChemSpider 2D Image | N-{(1S)-1-[7-Fluoro-2-(2-pyridinyl)-3-quinolinyl]ethyl}-8H-purin-6-amine | C21H16FN7

N-{(1S)-1-[7-Fluoro-2-(2-pyridinyl)-3-quinolinyl]ethyl}-8H-purin-6-amine

  • Molecular FormulaC21H16FN7
  • Average mass385.397 Da
  • Monoisotopic mass385.145111 Da
  • ChemSpider ID110102485

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

3-Quinolinemethanamine, 7-fluoro-α-methyl-N-8H-purin-6-yl-2-(2-pyridinyl)-, (αS)- [ACD/Index Name]
N-{(1S)-1-[7-Fluor-2-(2-pyridinyl)-3-chinolinyl]ethyl}-8H-purin-6-amin [German] [ACD/IUPAC Name]
N-{(1S)-1-[7-Fluoro-2-(2-pyridinyl)-3-quinoléinyl]éthyl}-8H-purin-6-amine [French] [ACD/IUPAC Name]
N-{(1S)-1-[7-Fluoro-2-(2-pyridinyl)-3-quinolinyl]ethyl}-8H-purin-6-amine [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 588.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.8±3.0 kJ/mol
Flash Point: 309.6±32.9 °C
Index of Refraction: 1.755
Molar Refractivity: 107.6±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.61
ACD/LogD (pH 5.5): 2.03
ACD/BCF (pH 5.5): 19.23
ACD/KOC (pH 5.5): 267.99
ACD/LogD (pH 7.4): 2.14
ACD/BCF (pH 7.4): 24.95
ACD/KOC (pH 7.4): 347.72
Polar Surface Area: 87 Å2
Polarizability: 42.7±0.5 10-24cm3
Surface Tension: 57.0±7.0 dyne/cm
Molar Volume: 262.9±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement