ChemSpider 2D Image | (1R,9S)-(3,5-~3~H_2_)-7,11-Diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-6-one | C11H12T2N2O

(1R,9S)-(3,5-3H2)-7,11-Diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one

  • Molecular FormulaC11H12T2N2O
  • Average mass194.258 Da
  • Monoisotopic mass194.127060 Da
  • ChemSpider ID26378294

  • defined stereocentres - 2 of 2 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(1R,9S)-(3,5-3H2)-7,11-Diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-on [German] [ACD/IUPAC Name]
(1R,9S)-(3,5-3H2)-7,11-Diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one [ACD/IUPAC Name]
(1R,9S)-(3,5-3H2)-7,11-Diazatricyclo[7.3.1.02,7]tridéca-2,4-dién-6-one [French] [ACD/IUPAC Name]
1,5-Methano-8H-pyrido[1,2-a][1,5]diazocin-8-one-9,11-t2, 1,2,3,4,5,6-hexahydro-, (1R,5S)- [ACD/Index Name]
[3H]cytisine
[³H]cytisine

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

Density:
Boiling Point: 413.0±34.0 °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: 203.6±25.7 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 0.07
ACD/LogD (pH 5.5): -2.93
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.36
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 32 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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