ChemSpider 2D Image | LSM-36879 | C16H14IN

LSM-36879

  • Molecular FormulaC16H14IN
  • Average mass347.194 Da
  • Monoisotopic mass347.017090 Da
  • ChemSpider ID58169172

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(1S)-13-Iod-1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaen [German] [ACD/IUPAC Name]
(1S)-13-Iodo-1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaene [ACD/IUPAC Name]
(1S)-13-Iodo-1-méthyl-16-azatétracyclo[7.6.1.02,7.010,15]hexadéca-2,4,6,10,12,14-hexaène [French] [ACD/IUPAC Name]
5H-Dibenzo[a,d]cyclohepten-5,10-imine, 10,11-dihydro-7-iodo-5-methyl-, (5S)- [ACD/Index Name]
LSM-36879

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

Density: 1.6±0.1 g/cm3
Boiling Point: 382.3±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 63.1±3.0 kJ/mol
Flash Point: 185.0±27.9 °C
Index of Refraction: 1.686
Molar Refractivity: 81.9±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 4.05
ACD/LogD (pH 5.5): 2.62
ACD/BCF (pH 5.5): 25.93
ACD/KOC (pH 5.5): 138.74
ACD/LogD (pH 7.4): 3.94
ACD/BCF (pH 7.4): 539.14
ACD/KOC (pH 7.4): 2884.96
Polar Surface Area: 12 Å2
Polarizability: 32.5±0.5 10-24cm3
Surface Tension: 54.9±3.0 dyne/cm
Molar Volume: 215.4±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement