Found 18 results

Search term: MF = 'C_{12}H_{21}BrN_{6}O'
ChemSpider 2D Image | 3-(2-{[5-Bromo-6-(propylamino)-4-pyrimidinyl]amino}ethyl)-1,1-dimethylurea | C12H21BrN6O

3-(2-{[5-Bromo-6-(propylamino)-4-pyrimidinyl]amino}ethyl)-1,1-dimethylurea

  • Molecular FormulaC12H21BrN6O
  • Average mass345.239 Da
  • Monoisotopic mass344.096008 Da
  • ChemSpider ID56181084

More details:

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

3-(2-{[5-Brom-6-(propylamino)-4-pyrimidinyl]amino}ethyl)-1,1-dimethylharnstoff [German] [ACD/IUPAC Name]
3-(2-{[5-Bromo-6-(propylamino)-4-pyrimidinyl]amino}ethyl)-1,1-dimethylurea [ACD/IUPAC Name]
3-(2-{[5-Bromo-6-(propylamino)-4-pyrimidinyl]amino}éthyl)-1,1-diméthylurée [French] [ACD/IUPAC Name]
Urea, N'-[2-[[5-bromo-6-(propylamino)-4-pyrimidinyl]amino]ethyl]-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: 589.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 87.9±3.0 kJ/mol
Flash Point: 310.2±30.1 °C
Index of Refraction: 1.611
Molar Refractivity: 84.5±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.43
ACD/LogD (pH 5.5): 2.92
ACD/BCF (pH 5.5): 95.73
ACD/KOC (pH 5.5): 896.03
ACD/LogD (pH 7.4): 2.94
ACD/BCF (pH 7.4): 101.51
ACD/KOC (pH 7.4): 950.14
Polar Surface Area: 82 Å2
Polarizability: 33.5±0.5 10-24cm3
Surface Tension: 54.6±3.0 dyne/cm
Molar Volume: 243.2±3.0 cm3

Click to predict properties on the Chemicalize site


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