ChemSpider 2D Image | 2-Methyl-2-propanyl methyl(trans-4-{[3-(4-pyridinyl)benzyl]amino}cyclohexyl)carbamate | C24H33N3O2

2-Methyl-2-propanyl methyl(trans-4-{[3-(4-pyridinyl)benzyl]amino}cyclohexyl)carbamate

  • Molecular FormulaC24H33N3O2
  • Average mass395.538 Da
  • Monoisotopic mass395.257263 Da
  • ChemSpider ID57578743

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

2-Methyl-2-propanyl methyl(trans-4-{[3-(4-pyridinyl)benzyl]amino}cyclohexyl)carbamate [ACD/IUPAC Name]
2-Methyl-2-propanyl-methyl(trans-4-{[3-(4-pyridinyl)benzyl]amino}cyclohexyl)carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-methyl-N-[trans-4-[[[3-(4-pyridinyl)phenyl]methyl]amino]cyclohexyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
Méthyl(trans-4-{[3-(4-pyridinyl)benzyl]amino}cyclohexyl)carbamate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
1401532-61-3 [RN]
tert-Butyl methyl(4-((3-(pyridin-4-yl)benzyl)amino)cyclohexyl)carbamate

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

Density: 1.1±0.1 g/cm3
Boiling Point: 519.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.3±3.0 kJ/mol
Flash Point: 268.2±30.1 °C
Index of Refraction: 1.573
Molar Refractivity: 116.8±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.57
ACD/LogD (pH 5.5): 1.52
ACD/BCF (pH 5.5): 1.58
ACD/KOC (pH 5.5): 6.66
ACD/LogD (pH 7.4): 3.10
ACD/BCF (pH 7.4): 59.44
ACD/KOC (pH 7.4): 250.47
Polar Surface Area: 54 Å2
Polarizability: 46.3±0.5 10-24cm3
Surface Tension: 48.5±5.0 dyne/cm
Molar Volume: 354.3±5.0 cm3

Click to predict properties on the Chemicalize site


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