ChemSpider 2D Image | 2-Methyl-N-{[trans-4-(nitrooxy)cyclohexyl]methyl}alaninamide | C11H21N3O4

2-Methyl-N-{[trans-4-(nitrooxy)cyclohexyl]methyl}alaninamide

  • Molecular FormulaC11H21N3O4
  • Average mass259.302 Da
  • Monoisotopic mass259.153198 Da
  • ChemSpider ID62780403

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

2-Methyl-N-{[trans-4-(nitrooxy)cyclohexyl]methyl}alaninamid [German] [ACD/IUPAC Name]
2-Methyl-N-{[trans-4-(nitrooxy)cyclohexyl]methyl}alaninamide [ACD/IUPAC Name]
2-Méthyl-N-{[trans-4-(nitrooxy)cyclohexyl]méthyl}alaninamide [French] [ACD/IUPAC Name]
Propanamide, 2-amino-2-methyl-N-[[trans-4-(nitrooxy)cyclohexyl]methyl]- [ACD/Index Name]
146086-81-9 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 429.7±28.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.5±3.0 kJ/mol
Flash Point: 213.7±24.0 °C
Index of Refraction: 1.512
Molar Refractivity: 66.1±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.73
ACD/LogD (pH 5.5): -1.06
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.64
ACD/BCF (pH 7.4): 1.30
ACD/KOC (pH 7.4): 28.89
Polar Surface Area: 110 Å2
Polarizability: 26.2±0.5 10-24cm3
Surface Tension: 46.7±5.0 dyne/cm
Molar Volume: 220.2±5.0 cm3

Click to predict properties on the Chemicalize site


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