ChemSpider 2D Image | 3-Hexadecyl-1,5-dimethyl-1H-1,5-benzodiazepine-2,4(3H,5H)-dione | C27H44N2O2

3-Hexadecyl-1,5-dimethyl-1H-1,5-benzodiazepine-2,4(3H,5H)-dione

  • Molecular FormulaC27H44N2O2
  • Average mass428.651 Da
  • Monoisotopic mass428.340271 Da
  • ChemSpider ID30656652

More details:






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

1H-1,5-Benzodiazepine-2,4(3H,5H)-dione, 3-hexadecyl-1,5-dimethyl- [ACD/Index Name]
3-Hexadecyl-1,5-dimethyl-1H-1,5-benzodiazepin-2,4(3H,5H)-dion [German] [ACD/IUPAC Name]
3-Hexadecyl-1,5-dimethyl-1H-1,5-benzodiazepine-2,4(3H,5H)-dione [ACD/IUPAC Name]
3-Hexadécyl-1,5-diméthyl-1H-1,5-benzodiazépine-2,4(3H,5H)-dione [French] [ACD/IUPAC Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 618.2±48.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.7±3.0 kJ/mol
Flash Point: 250.0±21.9 °C
Index of Refraction: 1.503
Molar Refractivity: 129.4±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 1
ACD/LogP: 9.03
ACD/LogD (pH 5.5): 8.75
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1372247.88
ACD/LogD (pH 7.4): 8.75
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1369977.75
Polar Surface Area: 41 Å2
Polarizability: 51.3±0.5 10-24cm3
Surface Tension: 36.3±3.0 dyne/cm
Molar Volume: 437.8±3.0 cm3

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