ChemSpider 2D Image | 1-{4-[2-(2-Methoxyethoxy)ethyl]-1,4-diazepan-1-yl}-2-(4-methyl-1-piperazinyl)-1-propanone | C18H36N4O3

1-{4-[2-(2-Methoxyethoxy)ethyl]-1,4-diazepan-1-yl}-2-(4-methyl-1-piperazinyl)-1-propanone

  • Molecular FormulaC18H36N4O3
  • Average mass356.503 Da
  • Monoisotopic mass356.278748 Da
  • ChemSpider ID77493950

More details:

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

1-{4-[2-(2-Methoxyethoxy)ethyl]-1,4-diazepan-1-yl}-2-(4-methyl-1-piperazinyl)-1-propanon [German] [ACD/IUPAC Name]
1-{4-[2-(2-Methoxyethoxy)ethyl]-1,4-diazepan-1-yl}-2-(4-methyl-1-piperazinyl)-1-propanone [ACD/IUPAC Name]
1-{4-[2-(2-Méthoxyéthoxy)éthyl]-1,4-diazépan-1-yl}-2-(4-méthyl-1-pipérazinyl)-1-propanone [French] [ACD/IUPAC Name]
1-Propanone, 1-[hexahydro-4-[2-(2-methoxyethoxy)ethyl]-1H-1,4-diazepin-1-yl]-2-(4-methyl-1-piperazinyl)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 476.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.1±3.0 kJ/mol
Flash Point: 242.2±28.7 °C
Index of Refraction: 1.500
Molar Refractivity: 98.9±0.3 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: -0.61
ACD/LogD (pH 5.5): -3.75
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.82
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.80
Polar Surface Area: 48 Å2
Polarizability: 39.2±0.5 10-24cm3
Surface Tension: 39.0±3.0 dyne/cm
Molar Volume: 336.5±3.0 cm3

Click to predict properties on the Chemicalize site


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