ChemSpider 2D Image | (13Z)-13-Ethylidene-8,15-diazahexacyclo[14.2.1.0~1,9~.0~2,7~.0~10,15~.0~12,17~]nonadeca-2,4,6,8-tetraen-18-yl acetate | C21H22N2O2

(13Z)-13-Ethylidene-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6,8-tetraen-18-yl acetate

  • Molecular FormulaC21H22N2O2
  • Average mass334.412 Da
  • Monoisotopic mass334.168121 Da
  • ChemSpider ID24785749

  • Double-bond stereo - Double-bond stereo

More details:

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

(13Z)-13-Ethyliden-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6,8-tetraen-18-yl-acetat [German] [ACD/IUPAC Name]
(13Z)-13-Ethylidene-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6,8-tetraen-18-yl acetate [ACD/IUPAC Name]
6H-6,10:11,12a-Dimethanoindolo[3,2-b]quinolizin-13-ol, 9-ethylidene-8,9,10,11,11a,12-hexahydro-, acetate (ester), (9Z)- [ACD/Index Name]
Acétate de (13Z)-13-éthylidène-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadéca-2,4,6,8-tétraén-18-yle [French] [ACD/IUPAC Name]
vinorine

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

Density: 1.5±0.1 g/cm3
Boiling Point: 471.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.5±3.0 kJ/mol
Flash Point: 239.2±28.7 °C
Index of Refraction: 1.782
Molar Refractivity: 93.4±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.93
ACD/LogD (pH 5.5): 1.77
ACD/BCF (pH 5.5): 10.24
ACD/KOC (pH 5.5): 138.29
ACD/LogD (pH 7.4): 2.20
ACD/BCF (pH 7.4): 27.35
ACD/KOC (pH 7.4): 369.43
Polar Surface Area: 42 Å2
Polarizability: 37.0±0.5 10-24cm3
Surface Tension: 58.5±7.0 dyne/cm
Molar Volume: 222.4±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement