ChemSpider 2D Image | 1,1-Dimethyl-3-{2-[(1-methyl-4-nitro-1H-imidazol-5-yl)amino]ethyl}urea | C9H16N6O3

1,1-Dimethyl-3-{2-[(1-methyl-4-nitro-1H-imidazol-5-yl)amino]ethyl}urea

  • Molecular FormulaC9H16N6O3
  • Average mass256.262 Da
  • Monoisotopic mass256.128387 Da
  • ChemSpider ID46049481

More details:

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

1,1-Dimethyl-3-{2-[(1-methyl-4-nitro-1H-imidazol-5-yl)amino]ethyl}harnstoff [German] [ACD/IUPAC Name]
1,1-Dimethyl-3-{2-[(1-methyl-4-nitro-1H-imidazol-5-yl)amino]ethyl}urea [ACD/IUPAC Name]
1,1-Diméthyl-3-{2-[(1-méthyl-4-nitro-1H-imidazol-5-yl)amino]éthyl}urée [French] [ACD/IUPAC Name]
Urea, N,N-dimethyl-N'-[2-[(1-methyl-4-nitro-1H-imidazol-5-yl)amino]ethyl]- [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: 617.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.6±3.0 kJ/mol
Flash Point: 327.4±30.1 °C
Index of Refraction: 1.615
Molar Refractivity: 64.5±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.88
ACD/LogD (pH 5.5): 0.34
ACD/BCF (pH 5.5): 1.07
ACD/KOC (pH 5.5): 36.47
ACD/LogD (pH 7.4): 0.34
ACD/BCF (pH 7.4): 1.07
ACD/KOC (pH 7.4): 36.51
Polar Surface Area: 108 Å2
Polarizability: 25.6±0.5 10-24cm3
Surface Tension: 54.9±7.0 dyne/cm
Molar Volume: 184.8±7.0 cm3

Click to predict properties on the Chemicalize site


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