ChemSpider 2D Image | 1-(2-Chloroethyl)-3-[(1E)-2-hydroxy-2-(methylamino)ethylidene]-1-nitrosourea | C6H11ClN4O3

1-(2-Chloroethyl)-3-[(1E)-2-hydroxy-2-(methylamino)ethylidene]-1-nitrosourea

  • Molecular FormulaC6H11ClN4O3
  • Average mass222.630 Da
  • Monoisotopic mass222.051971 Da
  • ChemSpider ID95738361

  • Double-bond stereo - Double-bond stereo

More details:

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

1-(2-Chlorethyl)-3-[(1E)-2-hydroxy-2-(methylamino)ethyliden]-1-nitrosoharnstoff [German] [ACD/IUPAC Name]
1-(2-Chloroethyl)-3-[(1E)-2-hydroxy-2-(methylamino)ethylidene]-1-nitrosourea [ACD/IUPAC Name]
1-(2-Chloroéthyl)-3-[(1E)-2-hydroxy-2-(méthylamino)éthylidène]-1-nitrosourée [French] [ACD/IUPAC Name]
Urea, N-(2-chloroethyl)-N'-[(1E)-2-hydroxy-2-(methylamino)ethylidene]-N-nitroso- [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: 325.7±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 65.8±6.0 kJ/mol
Flash Point: 150.8±30.7 °C
Index of Refraction: 1.565
Molar Refractivity: 50.3±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 0.12
ACD/LogD (pH 5.5): -0.14
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 19.23
ACD/LogD (pH 7.4): -0.10
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 20.94
Polar Surface Area: 94 Å2
Polarizability: 19.9±0.5 10-24cm3
Surface Tension: 53.5±7.0 dyne/cm
Molar Volume: 154.4±7.0 cm3

Click to predict properties on the Chemicalize site


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