ChemSpider 2D Image | 3-[(4-Bromotetrahydro-2H-pyran-3-yl)amino]-2-(2-nitro-1H-imidazol-1-yl)-1-propanol | C11H17BrN4O4

3-[(4-Bromotetrahydro-2H-pyran-3-yl)amino]-2-(2-nitro-1H-imidazol-1-yl)-1-propanol

  • Molecular FormulaC11H17BrN4O4
  • Average mass349.181 Da
  • Monoisotopic mass348.043304 Da
  • ChemSpider ID57461200

More details:

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

1H-Imidazole-1-ethanol, β-[[(4-bromotetrahydro-2H-pyran-3-yl)amino]methyl]-2-nitro- [ACD/Index Name]
3-[(4-Bromotetrahydro-2H-pyran-3-yl)amino]-2-(2-nitro-1H-imidazol-1-yl)-1-propanol [ACD/IUPAC Name]
3-[(4-Bromotétrahydro-2H-pyran-3-yl)amino]-2-(2-nitro-1H-imidazol-1-yl)-1-propanol [French] [ACD/IUPAC Name]
3-[(4-Bromtetrahydro-2H-pyran-3-yl)amino]-2-(2-nitro-1H-imidazol-1-yl)-1-propanol [German] [ACD/IUPAC Name]
(((4-Bromotetrahydro-2H-pyran-3-yl)amino)methyl)-2-nitro-1H-imidazole-1-ethanol

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

Density: 1.8±0.1 g/cm3
Boiling Point: 581.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 91.5±3.0 kJ/mol
Flash Point: 305.4±32.9 °C
Index of Refraction: 1.681
Molar Refractivity: 73.7±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 0.31
ACD/LogD (pH 5.5): -1.47
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.05
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 19.71
Polar Surface Area: 105 Å2
Polarizability: 29.2±0.5 10-24cm3
Surface Tension: 67.0±7.0 dyne/cm
Molar Volume: 194.6±7.0 cm3

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