ChemSpider 2D Image | Tert-Butyl [3-(3-{[4-(Diethylamino)piperidin-1-Yl]methyl}-4-Hydroxy-5-Iodophenyl)prop-2-Yn-1-Yl]carbamate | C24H36IN3O3

Tert-Butyl [3-(3-{[4-(Diethylamino)piperidin-1-Yl]methyl}-4-Hydroxy-5-Iodophenyl)prop-2-Yn-1-Yl]carbamate

  • Molecular FormulaC24H36IN3O3
  • Average mass541.465 Da
  • Monoisotopic mass541.180115 Da
  • ChemSpider ID35034205

More details:

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

[3-(3-{[4-(Diéthylamino)-1-pipéridinyl]méthyl}-4-hydroxy-5-iodophényl)-2-propyn-1-yl]carbamate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl [3-(3-{[4-(diethylamino)-1-piperidinyl]methyl}-4-hydroxy-5-iodophenyl)-2-propyn-1-yl]carbamate [ACD/IUPAC Name]
2-Methyl-2-propanyl-[3-(3-{[4-(diethylamino)-1-piperidinyl]methyl}-4-hydroxy-5-iodphenyl)-2-propin-1-yl]carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[3-[3-[[4-(diethylamino)-1-piperidinyl]methyl]-4-hydroxy-5-iodophenyl]-2-propyn-1-yl]-, 1,1-dimethylethyl ester [ACD/Index Name]
Tert-Butyl [3-(3-{[4-(Diethylamino)piperidin-1-Yl]methyl}-4-Hydroxy-5-Iodophenyl)prop-2-Yn-1-Yl]carbamate
P74

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

Density: 1.4±0.1 g/cm3
Boiling Point: 571.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 88.9±3.0 kJ/mol
Flash Point: 299.4±30.1 °C
Index of Refraction: 1.605
Molar Refractivity: 133.8±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 5.52
ACD/LogD (pH 5.5): 1.53
ACD/BCF (pH 5.5): 1.39
ACD/KOC (pH 5.5): 5.08
ACD/LogD (pH 7.4): 2.49
ACD/BCF (pH 7.4): 12.55
ACD/KOC (pH 7.4): 45.74
Polar Surface Area: 65 Å2
Polarizability: 53.0±0.5 10-24cm3
Surface Tension: 55.5±5.0 dyne/cm
Molar Volume: 388.6±5.0 cm3

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