ChemSpider 2D Image | 3-[(2E)-1-Amino-1-hydroxy-2-propanylidene]-1-(2-chloroethyl)-1-nitrosourea | C6H11ClN4O3

3-[(2E)-1-Amino-1-hydroxy-2-propanylidene]-1-(2-chloroethyl)-1-nitrosourea

  • Molecular FormulaC6H11ClN4O3
  • Average mass222.630 Da
  • Monoisotopic mass222.051971 Da
  • ChemSpider ID95701916

  • Double-bond stereo - Double-bond stereo

More details:

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

3-[(2E)-1-Amino-1-hydroxy-2-propanyliden]-1-(2-chlorethyl)-1-nitrosoharnstoff [German] [ACD/IUPAC Name]
3-[(2E)-1-Amino-1-hydroxy-2-propanylidene]-1-(2-chloroethyl)-1-nitrosourea [ACD/IUPAC Name]
3-[(2E)-1-Amino-1-hydroxy-2-propanylidène]-1-(2-chloroéthyl)-1-nitrosourée [French] [ACD/IUPAC Name]
Urea, N'-[(1E)-2-amino-2-hydroxy-1-methylethylidene]-N-(2-chloroethyl)-N-nitroso- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 333.0±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 66.7±6.0 kJ/mol
Flash Point: 155.2±30.7 °C
Index of Refraction: 1.586
Molar Refractivity: 49.1±0.5 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -0.25
ACD/LogD (pH 5.5): -1.02
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.17
ACD/LogD (pH 7.4): -0.58
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 11.41
Polar Surface Area: 108 Å2
Polarizability: 19.5±0.5 10-24cm3
Surface Tension: 58.5±7.0 dyne/cm
Molar Volume: 146.5±7.0 cm3

Click to predict properties on the Chemicalize site


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