ChemSpider 2D Image | (1R,9S)-4-(~123~I)Iodo-1-methyl-16-azatetracyclo[7.6.1.0~2,7~.0~10,15~]hexadeca-2,4,6,10,12,14-hexaene | C16H14123IN

(1R,9S)-4-(123I)Iodo-1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaene

  • Molecular FormulaC16H14123IN
  • Average mass343.289 Da
  • Monoisotopic mass343.112610 Da
  • ChemSpider ID396189

  • 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)-4-(123I)Iod-1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaen [German] [ACD/IUPAC Name]
(1R,9S)-4-(123I)Iodo-1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaene [ACD/IUPAC Name]
(1R,9S)-4-(123I)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-3-(iodo-123I)-5-methyl-, (5R,10S)- [ACD/Index Name]

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

MOLI000131 [DBID]

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.686
Molar Refractivity: 81.9±0.3 cm3
#H bond acceptors:
#H bond donors:
#Freely Rotating Bonds:
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area:
Polarizability: 32.5±0.5 10-24cm3
Surface Tension: 54.9±3.0 dyne/cm
Molar Volume: 215.4±3.0 cm3

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