ChemSpider 2D Image | tert-butyl [(trans-4-{[({2-[4-(aminomethyl)phenyl]quinolin-4-yl}carbonyl)amino]methyl}cyclohexyl)methyl]carbamate | C30H38N4O3

tert-butyl [(trans-4-{[({2-[4-(aminomethyl)phenyl]quinolin-4-yl}carbonyl)amino]methyl}cyclohexyl)methyl]carbamate

  • Molecular FormulaC30H38N4O3
  • Average mass502.648 Da
  • Monoisotopic mass502.294403 Da
  • ChemSpider ID26329334

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

[(trans-4-{[({2-[4-(Aminométhyl)phényl]-4-quinoléinyl}carbonyl)amino]méthyl}cyclohexyl)méthyl]carbamate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl [(trans-4-{[({2-[4-(aminomethyl)phenyl]-4-quinolinyl}carbonyl)amino]methyl}cyclohexyl)methyl]carbamate [ACD/IUPAC Name]
2-Methyl-2-propanyl-[(trans-4-{[({2-[4-(aminomethyl)phenyl]-4-chinolinyl}carbonyl)amino]methyl}cyclohexyl)methyl]carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[[trans-4-[[[[2-[4-(aminomethyl)phenyl]-4-quinolinyl]carbonyl]amino]methyl]cyclohexyl]methyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
tert-butyl [(trans-4-{[({2-[4-(aminomethyl)phenyl]quinolin-4-yl}carbonyl)amino]methyl}cyclohexyl)methyl]carbamate
Tert-Butyl [(Trans-4-{[({2-[4-(Aminomethyl)phenyl]quinolin-4-Yl}carbonyl)amino]methyl} Cyclohexyl)methyl]carbamate
X24

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

Density: 1.1±0.1 g/cm3
Boiling Point: 709.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 103.7±3.0 kJ/mol
Flash Point: 382.6±32.9 °C
Index of Refraction: 1.585
Molar Refractivity: 147.7±0.3 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 4.55
ACD/LogD (pH 5.5): 1.57
ACD/BCF (pH 5.5): 1.85
ACD/KOC (pH 5.5): 8.13
ACD/LogD (pH 7.4): 3.04
ACD/BCF (pH 7.4): 54.75
ACD/KOC (pH 7.4): 240.71
Polar Surface Area: 106 Å2
Polarizability: 58.6±0.5 10-24cm3
Surface Tension: 48.2±3.0 dyne/cm
Molar Volume: 440.8±3.0 cm3

Click to predict properties on the Chemicalize site


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