ChemSpider 2D Image | N-Benzyl-N-[(11-chloro-12-hydroxy-7-methyl-6,6a,7,8,9,13b-hexahydro-5H-benzo[d]naphtho[2,1-b]azepin-2-yl)methyl]benzamide | C34H33ClN2O2

N-Benzyl-N-[(11-chloro-12-hydroxy-7-methyl-6,6a,7,8,9,13b-hexahydro-5H-benzo[d]naphtho[2,1-b]azepin-2-yl)methyl]benzamide

  • Molecular FormulaC34H33ClN2O2
  • Average mass537.091 Da
  • Monoisotopic mass536.223083 Da
  • ChemSpider ID9493605

More details:

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

Benzamide, N-[(11-chloro-6,6a,7,8,9,13b-hexahydro-12-hydroxy-7-methyl-5H-benzo[d]naphth[2,1-b]azepin-2-yl)methyl]-N-(phenylmethyl)- [ACD/Index Name]
N-Benzyl-N-[(11-chlor-12-hydroxy-7-methyl-6,6a,7,8,9,13b-hexahydro-5H-benzo[d]naphtho[2,1-b]azepin-2-yl)methyl]benzamid [German] [ACD/IUPAC Name]
N-Benzyl-N-[(11-chloro-12-hydroxy-7-methyl-6,6a,7,8,9,13b-hexahydro-5H-benzo[d]naphtho[2,1-b]azepin-2-yl)methyl]benzamide [ACD/IUPAC Name]
N-Benzyl-N-[(11-chloro-12-hydroxy-7-méthyl-6,6a,7,8,9,13b-hexahydro-5H-benzo[d]naphto[2,1-b]azépin-2-yl)méthyl]benzamide [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 716.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 108.5±3.0 kJ/mol
Flash Point: 387.2±32.9 °C
Index of Refraction: 1.645
Molar Refractivity: 157.3±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 6.13
ACD/LogD (pH 5.5): 3.87
ACD/BCF (pH 5.5): 126.62
ACD/KOC (pH 5.5): 212.29
ACD/LogD (pH 7.4): 5.54
ACD/BCF (pH 7.4): 5969.12
ACD/KOC (pH 7.4): 10007.59
Polar Surface Area: 44 Å2
Polarizability: 62.4±0.5 10-24cm3
Surface Tension: 52.4±3.0 dyne/cm
Molar Volume: 433.9±3.0 cm3

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