ChemSpider 2D Image | 8-Carboxamidocyclazocine | C19H26N2O

8-Carboxamidocyclazocine

  • Molecular FormulaC19H26N2O
  • Average mass298.422 Da
  • Monoisotopic mass298.204498 Da
  • ChemSpider ID30845204
  • defined stereocentres - 3 of 3 defined stereocentres


More details:






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

(1S,9R,13R)-10-(Cyclopropylmethyl)-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-trien-4-carboxamid [German] [ACD/IUPAC Name]
(1S,9R,13R)-10-(Cyclopropylmethyl)-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene-4-carboxamide [ACD/IUPAC Name]
(1S,9R,13R)-10-(Cyclopropylméthyl)-1,13-diméthyl-10-azatricyclo[7.3.1.02,7]tridéca-2,4,6-triène-4-carboxamide [French] [ACD/IUPAC Name]
2,6-Methano-3-benzazocine-8-carboxamide, 3-(cyclopropylmethyl)-1,2,3,4,5,6-hexahydro-6,11-dimethyl-, (2R,6S,11R)- [ACD/Index Name]
8-Carboxamidocyclazocine [Wiki]
CHEMBL157302

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 413.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 66.6±3.0 kJ/mol
Flash Point: 204.0±28.7 °C
Index of Refraction: 1.592
Molar Refractivity: 88.7±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.08
ACD/LogD (pH 5.5): -0.11
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.32
ACD/BCF (pH 7.4): 2.63
ACD/KOC (pH 7.4): 26.33
Polar Surface Area: 46 Å2
Polarizability: 35.1±0.5 10-24cm3
Surface Tension: 46.5±3.0 dyne/cm
Molar Volume: 261.9±3.0 cm3

Click to predict properties on the Chemicalize site





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