ChemSpider 2D Image | (1S,9R)-10-[(2S)-2-(Benzyloxy)propyl]-13,13-dimethyl-10-azatricyclo[7.3.1.0~2,7~]trideca-2,4,6-triene | C24H31NO

(1S,9R)-10-[(2S)-2-(Benzyloxy)propyl]-13,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene

  • Molecular FormulaC24H31NO
  • Average mass349.509 Da
  • Monoisotopic mass349.240570 Da
  • ChemSpider ID28529129

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(1S,9R)-10-[(2S)-2-(Benzyloxy)propyl]-13,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-trien [German] [ACD/IUPAC Name]
(1S,9R)-10-[(2S)-2-(Benzyloxy)propyl]-13,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene [ACD/IUPAC Name]
(1S,9R)-10-[(2S)-2-(Benzyloxy)propyl]-13,13-diméthyl-10-azatricyclo[7.3.1.02,7]tridéca-2,4,6-triène [French] [ACD/IUPAC Name]
2,6-Methano-3-benzazocine, 1,2,3,4,5,6-hexahydro-11,11-dimethyl-3-[(2S)-2-(phenylmethoxy)propyl]-, (2R,6S)- [ACD/Index 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: 451.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.1±3.0 kJ/mol
Flash Point: 131.8±31.0 °C
Index of Refraction: 1.552
Molar Refractivity: 108.0±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.58
ACD/LogD (pH 5.5): 2.78
ACD/BCF (pH 5.5): 15.93
ACD/KOC (pH 5.5): 39.63
ACD/LogD (pH 7.4): 4.33
ACD/BCF (pH 7.4): 565.58
ACD/KOC (pH 7.4): 1407.36
Polar Surface Area: 12 Å2
Polarizability: 42.8±0.5 10-24cm3
Surface Tension: 37.1±3.0 dyne/cm
Molar Volume: 338.0±3.0 cm3

Click to predict properties on the Chemicalize site


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