ChemSpider 2D Image | 2-(6-Hydroxy-4-{[1-(2-methoxyethyl)-1H-imidazol-5-yl]methyl}-1,4-diazepan-1-yl)-1,3-propanediol | C15H28N4O4

2-(6-Hydroxy-4-{[1-(2-methoxyethyl)-1H-imidazol-5-yl]methyl}-1,4-diazepan-1-yl)-1,3-propanediol

  • Molecular FormulaC15H28N4O4
  • Average mass328.407 Da
  • Monoisotopic mass328.211060 Da
  • ChemSpider ID30969836

More details:

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

1,3-Propanediol, 2-[hexahydro-6-hydroxy-4-[[1-(2-methoxyethyl)-1H-imidazol-5-yl]methyl]-1H-1,4-diazepin-1-yl]- [ACD/Index Name]
2-(6-Hydroxy-4-{[1-(2-methoxyethyl)-1H-imidazol-5-yl]methyl}-1,4-diazepan-1-yl)-1,3-propandiol [German] [ACD/IUPAC Name]
2-(6-Hydroxy-4-{[1-(2-methoxyethyl)-1H-imidazol-5-yl]methyl}-1,4-diazepan-1-yl)-1,3-propanediol [ACD/IUPAC Name]
2-(6-Hydroxy-4-{[1-(2-méthoxyéthyl)-1H-imidazol-5-yl]méthyl}-1,4-diazépan-1-yl)-1,3-propanediol [French] [ACD/IUPAC Name]
2-(6-hydroxy-4-{[1-(2-methoxyethyl)-1H-imidazol-5-yl]methyl}-1,4-diazepan-1-yl)propane-1,3-diol

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

Density: 1.3±0.1 g/cm3
Boiling Point: 575.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.6±3.0 kJ/mol
Flash Point: 301.5±30.1 °C
Index of Refraction: 1.593
Molar Refractivity: 85.3±0.5 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: -1.85
ACD/LogD (pH 5.5): -3.90
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.72
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.94
Polar Surface Area: 94 Å2
Polarizability: 33.8±0.5 10-24cm3
Surface Tension: 51.7±7.0 dyne/cm
Molar Volume: 251.6±7.0 cm3

Click to predict properties on the Chemicalize site


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