ChemSpider 2D Image | Cycloclavine | C16H18N2

Cycloclavine

  • Molecular FormulaC16H18N2
  • Average mass238.327 Da
  • Monoisotopic mass238.147003 Da
  • ChemSpider ID25991549
  • defined stereocentres - 3 of 3 defined stereocentres


More details:






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

6,8-Dimethyl-8,10-cycloergolin [German] [ACD/IUPAC Name]
6,8-Dimethyl-8,10-cycloergoline [ACD/IUPAC Name]
6,8-Diméthyl-8,10-cycloergoline [French] [ACD/IUPAC Name]
8,10-Cycloergoline, 6,8-dimethyl- [ACD/Index Name]
Cycloclavine

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

Density: 1.3±0.1 g/cm3
Boiling Point: 410.6±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 66.3±3.0 kJ/mol
Flash Point: 202.1±25.9 °C
Index of Refraction: 1.714
Molar Refractivity: 73.0±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 2.63
ACD/LogD (pH 5.5): -0.26
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.37
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.90
Polar Surface Area: 19 Å2
Polarizability: 28.9±0.5 10-24cm3
Surface Tension: 59.7±5.0 dyne/cm
Molar Volume: 186.0±5.0 cm3

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