ChemSpider 2D Image | (5alpha)-14-{[4-(4-Chlorophenyl)butyl]amino}-17-(cyclopropylmethyl)-3-hydroxy-4,5-epoxymorphinan-6-one | C30H35ClN2O3

(5α)-14-{[4-(4-Chlorophenyl)butyl]amino}-17-(cyclopropylmethyl)-3-hydroxy-4,5-epoxymorphinan-6-one

  • Molecular FormulaC30H35ClN2O3
  • Average mass507.064 Da
  • Monoisotopic mass506.233612 Da
  • ChemSpider ID17245925

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(5α)-14-{[4-(4-Chlorophenyl)butyl]amino}-17-(cyclopropylmethyl)-3-hydroxy-4,5-epoxymorphinan-6-one [ACD/IUPAC Name]
(5α)-14-{[4-(4-Chlorophényl)butyl]amino}-17-(cyclopropylméthyl)-3-hydroxy-4,5-époxymorphinane-6-one [French] [ACD/IUPAC Name]
(5α)-14-{[4-(4-Chlorphenyl)butyl]amino}-17-(cyclopropylmethyl)-3-hydroxy-4,5-epoxymorphinan-6-on [German] [ACD/IUPAC Name]
Morphinan-6-one, 14-[[4-(4-chlorophenyl)butyl]amino]-17-(cyclopropylmethyl)-4,5-epoxy-3-hydroxy-, (5α)- [ACD/Index Name]
CHEMBL217102
N-cyclopropylmethyl-14β-[4'-(4"-chlorophenyl)-butanamino]-7,8-dihydronormorphinone

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

Density: 1.4±0.1 g/cm3
Boiling Point: 680.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.5±3.0 kJ/mol
Flash Point: 365.5±31.5 °C
Index of Refraction: 1.671
Molar Refractivity: 140.3±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 5.09
ACD/LogD (pH 5.5): 1.34
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.28
ACD/LogD (pH 7.4): 3.90
ACD/BCF (pH 7.4): 323.50
ACD/KOC (pH 7.4): 1186.42
Polar Surface Area: 62 Å2
Polarizability: 55.6±0.5 10-24cm3
Surface Tension: 65.5±5.0 dyne/cm
Molar Volume: 374.9±5.0 cm3

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