ChemSpider 2D Image | N,N'-(1R,2R)-1,2-Cyclohexanediylbis(3,5-dinitrobenzamide) | C20H18N6O10

N,N'-(1R,2R)-1,2-Cyclohexanediylbis(3,5-dinitrobenzamide)

  • Molecular FormulaC20H18N6O10
  • Average mass502.391 Da
  • Monoisotopic mass502.108429 Da
  • ChemSpider ID116298

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

Benzamide, N,N'-(1R,2R)-1,2-cyclohexanediylbis[3,5-dinitro- [ACD/Index Name]
N,N'-(1R,2R)-1,2-Cyclohexandiylbis(3,5-dinitrobenzamid) [German] [ACD/IUPAC Name]
N,N'-(1R,2R)-1,2-Cyclohexanediylbis(3,5-dinitrobenzamide) [ACD/IUPAC Name]
N,N'-(1R,2R)-1,2-Cyclohexanediylbis(3,5-dinitrobenzamide) [French] [ACD/IUPAC Name]
133226-16-1 [RN]
Benzamide,N,N'-(1R,2R)-1,2-cyclohexanediylbis[3,5-dinitro-, trans- (9CI)
Dach-dnb
N,N'-(3,5-Dinitrobenzoyl)-1,2-diaminocyclohexane

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

Density: 1.6±0.1 g/cm3
Boiling Point: 701.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.6±3.0 kJ/mol
Flash Point: 377.7±32.9 °C
Index of Refraction: 1.669
Molar Refractivity: 118.1±0.4 cm3
#H bond acceptors: 16
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 2.45
ACD/LogD (pH 5.5): 2.16
ACD/BCF (pH 5.5): 25.88
ACD/KOC (pH 5.5): 357.33
ACD/LogD (pH 7.4): 2.16
ACD/BCF (pH 7.4): 25.88
ACD/KOC (pH 7.4): 357.31
Polar Surface Area: 241 Å2
Polarizability: 46.8±0.5 10-24cm3
Surface Tension: 84.3±5.0 dyne/cm
Molar Volume: 316.7±5.0 cm3

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