ChemSpider 2D Image | (4S)-N~1~-Isopropyl-N~4~-(6-methoxy-8-quinolinyl)-1,4-pentanediamine | C18H27N3O

(4S)-N1-Isopropyl-N4-(6-methoxy-8-quinolinyl)-1,4-pentanediamine

  • Molecular FormulaC18H27N3O
  • Average mass301.427 Da
  • Monoisotopic mass301.215424 Da
  • ChemSpider ID23170668

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(4S)-N1-Isopropyl-N4-(6-methoxy-8-chinolinyl)-1,4-pentandiamin [German] [ACD/IUPAC Name]
(4S)-N1-Isopropyl-N4-(6-méthoxy-8-quinoléinyl)-1,4-pentanediamine [French] [ACD/IUPAC Name]
(4S)-N1-Isopropyl-N4-(6-methoxy-8-quinolinyl)-1,4-pentanediamine [ACD/IUPAC Name]
(4S)-N4-(6-methoxyquinolin-8-yl)-N1-(propan-2-yl)pentane-1,4-diamine
1,4-Pentanediamine, N4-(6-methoxy-8-quinolinyl)-N1-(1-methylethyl)-, (4S)- [ACD/Index Name]
(S)-N*1*-Isopropyl-N*4*-(6-methoxy-quinolin-8-yl)-pentane-1,4-diamine

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

Density: 1.1±0.1 g/cm3
Boiling Point: 467.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 72.9±3.0 kJ/mol
Flash Point: 236.5±28.7 °C
Index of Refraction: 1.576
Molar Refractivity: 94.4±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.78
ACD/LogD (pH 5.5): 0.53
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.77
ACD/LogD (pH 7.4): 0.78
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.14
Polar Surface Area: 46 Å2
Polarizability: 37.4±0.5 10-24cm3
Surface Tension: 41.0±3.0 dyne/cm
Molar Volume: 285.3±3.0 cm3

Click to predict properties on the Chemicalize site


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