ChemSpider 2D Image | Chanoclavine II | C16H20N2O

Chanoclavine II

  • Molecular FormulaC16H20N2O
  • Average mass256.343 Da
  • Monoisotopic mass256.157562 Da
  • ChemSpider ID32702224
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(2E)-2-Methyl-3-[(4R,5S)-4-(methylamino)-1,3,4,5-tetrahydrobenzo[cd]indol-5-yl]-2-propen-1-ol [German] [ACD/IUPAC Name]
(2E)-2-Methyl-3-[(4R,5S)-4-(methylamino)-1,3,4,5-tetrahydrobenzo[cd]indol-5-yl]-2-propen-1-ol [ACD/IUPAC Name]
(2E)-2-Méthyl-3-[(4R,5S)-4-(méthylamino)-1,3,4,5-tétrahydrobenzo[cd]indol-5-yl]-2-propén-1-ol [French] [ACD/IUPAC Name]
1466-08-6 [RN]
2-Propen-1-ol, 2-methyl-3-[(4R,5S)-1,3,4,5-tetrahydro-4-(methylamino)benz[cd]indol-5-yl]-, (2E)- [ACD/Index Name]
3ZLN2ZRI6Q
Chanoclavine II [Wiki]
chanoclavine-II
UNII:3ZLN2ZRI6Q
UNII-3ZLN2ZRI6Q

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

Density: 1.2±0.1 g/cm3
Boiling Point: 470.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 77.2±3.0 kJ/mol
Flash Point: 238.1±28.7 °C
Index of Refraction: 1.646
Molar Refractivity: 78.0±0.4 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.96
ACD/LogD (pH 5.5): -0.51
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.13
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.17
Polar Surface Area: 48 Å2
Polarizability: 30.9±0.5 10-24cm3
Surface Tension: 54.4±5.0 dyne/cm
Molar Volume: 215.1±5.0 cm3

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