ChemSpider 2D Image | 1-(3-Butyn-2-yl)-3-(4-chlorophenyl)-1-methylurea | C12H13ClN2O

1-(3-Butyn-2-yl)-3-(4-chlorophenyl)-1-methylurea

  • Molecular FormulaC12H13ClN2O
  • Average mass236.697 Da
  • Monoisotopic mass236.071640 Da
  • ChemSpider ID21108580

More details:






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

1-(3-Butin-2-yl)-3-(4-chlorphenyl)-1-methylharnstoff [German] [ACD/IUPAC Name]
1-(3-Butyn-2-yl)-3-(4-chlorophenyl)-1-methylurea [ACD/IUPAC Name]
1-(3-Butyn-2-yl)-3-(4-chlorophényl)-1-méthylurée [French] [ACD/IUPAC Name]
Urea, N'-(4-chlorophenyl)-N-methyl-N-(1-methyl-2-propyn-1-yl)- [ACD/Index Name]
223-187-2 [EINECS]
3766-60-7 [RN]
Buturon [BSI] [ISO]
UNII-1961BJU91F

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

Density: 1.2±0.1 g/cm3
Boiling Point: 394.9±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.5±3.0 kJ/mol
Flash Point: 192.6±27.9 °C
Index of Refraction: 1.598
Molar Refractivity: 65.5±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.62
ACD/LogD (pH 5.5): 2.56
ACD/BCF (pH 5.5): 51.59
ACD/KOC (pH 5.5): 585.43
ACD/LogD (pH 7.4): 2.56
ACD/BCF (pH 7.4): 51.59
ACD/KOC (pH 7.4): 585.42
Polar Surface Area: 32 Å2
Polarizability: 26.0±0.5 10-24cm3
Surface Tension: 49.2±3.0 dyne/cm
Molar Volume: 191.9±3.0 cm3

Click to predict properties on the Chemicalize site






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