ChemSpider 2D Image | Propyl N-(2-chloroethyl)-N'-nitrocarbamimidate | C6H12ClN3O3

Propyl N-(2-chloroethyl)-N'-nitrocarbamimidate

  • Molecular FormulaC6H12ClN3O3
  • Average mass209.631 Da
  • Monoisotopic mass209.056717 Da
  • ChemSpider ID96501905

More details:

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

Carbamimidic acid, N-(2-chloroethyl)-N'-nitro-, propyl ester [ACD/Index Name]
N-(2-Chloroéthyl)-N'-nitrocarbamimidate de propyle [French] [ACD/IUPAC Name]
Propyl N-(2-chloroethyl)-N'-nitrocarbamimidate [ACD/IUPAC Name]
Propyl-N-(2-chlorethyl)-N'-nitrocarbamimidat [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 292.3±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 53.2±3.0 kJ/mol
Flash Point: 130.6±27.9 °C
Index of Refraction: 1.513
Molar Refractivity: 47.8±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.14
ACD/LogD (pH 5.5): 1.38
ACD/BCF (pH 5.5): 6.56
ACD/KOC (pH 5.5): 133.71
ACD/LogD (pH 7.4): 1.38
ACD/BCF (pH 7.4): 6.56
ACD/KOC (pH 7.4): 133.71
Polar Surface Area: 79 Å2
Polarizability: 18.9±0.5 10-24cm3
Surface Tension: 45.0±7.0 dyne/cm
Molar Volume: 158.9±7.0 cm3

Click to predict properties on the Chemicalize site


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