ChemSpider 2D Image | N~3~-[2-Hydroxy-3-(4-nitro-1H-pyrazol-1-yl)propyl]-N,N-dimethyl-beta-alaninamide | C11H19N5O4

N3-[2-Hydroxy-3-(4-nitro-1H-pyrazol-1-yl)propyl]-N,N-dimethyl-β-alaninamide

  • Molecular FormulaC11H19N5O4
  • Average mass285.300 Da
  • Monoisotopic mass285.143707 Da
  • ChemSpider ID38940390

More details:

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

N3-[2-Hydroxy-3-(4-nitro-1H-pyrazol-1-yl)propyl]-N,N-dimethyl-β-alaninamid [German] [ACD/IUPAC Name]
N3-[2-Hydroxy-3-(4-nitro-1H-pyrazol-1-yl)propyl]-N,N-dimethyl-β-alaninamide [ACD/IUPAC Name]
N3-[2-Hydroxy-3-(4-nitro-1H-pyrazol-1-yl)propyl]-N,N-diméthyl-β-alaninamide [French] [ACD/IUPAC Name]
Propanamide, 3-[[2-hydroxy-3-(4-nitro-1H-pyrazol-1-yl)propyl]amino]-N,N-dimethyl- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 520.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 83.6±3.0 kJ/mol
Flash Point: 268.7±30.1 °C
Index of Refraction: 1.597
Molar Refractivity: 71.7±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: -0.74
ACD/LogD (pH 5.5): -2.65
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.96
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.18
Polar Surface Area: 116 Å2
Polarizability: 28.4±0.5 10-24cm3
Surface Tension: 55.3±7.0 dyne/cm
Molar Volume: 210.4±7.0 cm3

Click to predict properties on the Chemicalize site


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