ChemSpider 2D Image | N-(2-{2-[(6-Chlorohexyl)oxy]ethoxy}ethyl)-4-(11,12-didehydrodibenzo[b,f]azocin-5(6H)-yl)-4-oxobutanamide | C29H35ClN2O4

N-(2-{2-[(6-Chlorohexyl)oxy]ethoxy}ethyl)-4-(11,12-didehydrodibenzo[b,f]azocin-5(6H)-yl)-4-oxobutanamide

  • Molecular FormulaC29H35ClN2O4
  • Average mass511.052 Da
  • Monoisotopic mass510.228546 Da
  • ChemSpider ID114990542

More details:

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

Dibenz[b,f]azocine-5(6H)-butanamide, N-[2-[2-[(6-chlorohexyl)oxy]ethoxy]ethyl]-11,12-didehydro-γ-oxo- [ACD/Index Name]
N-(2-{2-[(6-Chlorhexyl)oxy]ethoxy}ethyl)-4-(11,12-didehydrodibenzo[b,f]azocin-5(6H)-yl)-4-oxobutanamid [German] [ACD/IUPAC Name]
N-(2-{2-[(6-Chlorohexyl)oxy]ethoxy}ethyl)-4-(11,12-didehydrodibenzo[b,f]azocin-5(6H)-yl)-4-oxobutanamide [ACD/IUPAC Name]
N-(2-{2-[(6-Chlorohexyl)oxy]éthoxy}éthyl)-4-(11,12-didéhydrodibenzo[b,f]azocin-5(6H)-yl)-4-oxobutanamide [French] [ACD/IUPAC Name]
Halo-DBCO

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

Density: 1.2±0.1 g/cm3
Boiling Point: 765.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 111.5±3.0 kJ/mol
Flash Point: 416.7±32.9 °C
Index of Refraction: 1.591
Molar Refractivity: 142.2±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 5.33
ACD/LogD (pH 5.5): 5.03
ACD/BCF (pH 5.5): 3952.32
ACD/KOC (pH 5.5): 13068.34
ACD/LogD (pH 7.4): 5.03
ACD/BCF (pH 7.4): 3952.33
ACD/KOC (pH 7.4): 13068.37
Polar Surface Area: 68 Å2
Polarizability: 56.4±0.5 10-24cm3
Surface Tension: 55.1±5.0 dyne/cm
Molar Volume: 421.1±5.0 cm3

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