ChemSpider 2D Image | 1-{[4-(Dimethylamino)tetrahydro-2H-pyran-4-yl]methyl}-3-(1-methyl-1H-1,2,3-triazol-4-yl)urea | C12H22N6O2

1-{[4-(Dimethylamino)tetrahydro-2H-pyran-4-yl]methyl}-3-(1-methyl-1H-1,2,3-triazol-4-yl)urea

  • Molecular FormulaC12H22N6O2
  • Average mass282.342 Da
  • Monoisotopic mass282.180420 Da
  • ChemSpider ID52579919

More details:

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

1-{[4-(Dimethylamino)tetrahydro-2H-pyran-4-yl]methyl}-3-(1-methyl-1H-1,2,3-triazol-4-yl)harnstoff [German] [ACD/IUPAC Name]
1-{[4-(Dimethylamino)tetrahydro-2H-pyran-4-yl]methyl}-3-(1-methyl-1H-1,2,3-triazol-4-yl)urea [ACD/IUPAC Name]
1-{[4-(Diméthylamino)tétrahydro-2H-pyran-4-yl]méthyl}-3-(1-méthyl-1H-1,2,3-triazol-4-yl)urée [French] [ACD/IUPAC Name]
Urea, N-[[4-(dimethylamino)tetrahydro-2H-pyran-4-yl]methyl]-N'-(1-methyl-1H-1,2,3-triazol-4-yl)- [ACD/Index Name]
N-{[4-(dimethylamino)tetrahydro-2H-pyran-4-yl]methyl}-N'-(1-methyl-1H-1,2,3-triazol-4-yl)urea

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.613
Molar Refractivity: 75.1±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -1.21
ACD/LogD (pH 5.5): -2.42
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.72
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.04
Polar Surface Area: 84 Å2
Polarizability: 29.8±0.5 10-24cm3
Surface Tension: 49.6±7.0 dyne/cm
Molar Volume: 215.8±7.0 cm3

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