ChemSpider 2D Image | N-{(1S)-1-[8-Chloro-2-(2-methyl-3-pyridinyl)-3-quinolinyl]ethyl}-9H-purin-6-amine | C22H18ClN7

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

  • Molecular FormulaC22H18ClN7
  • Average mass415.878 Da
  • Monoisotopic mass415.131226 Da
  • ChemSpider ID35035307

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

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

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

Density: 1.4±0.1 g/cm3
Boiling Point: 709.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 103.8±3.0 kJ/mol
Flash Point: 383.1±32.9 °C
Index of Refraction: 1.754
Molar Refractivity: 119.9±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.46
ACD/LogD (pH 5.5): 4.38
ACD/BCF (pH 5.5): 1259.04
ACD/KOC (pH 5.5): 5736.41
ACD/LogD (pH 7.4): 4.39
ACD/BCF (pH 7.4): 1274.77
ACD/KOC (pH 7.4): 5808.06
Polar Surface Area: 92 Å2
Polarizability: 47.5±0.5 10-24cm3
Surface Tension: 74.8±3.0 dyne/cm
Molar Volume: 293.0±3.0 cm3

Click to predict properties on the Chemicalize site


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