ChemSpider 2D Image | (1S,9R)-1-Methyl-16-azoniatetracyclo[7.6.1.0~2,7~.0~10,15~]hexadeca-2,4,6,10,12,14-hexaene | C16H16N

(1S,9R)-1-Methyl-16-azoniatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaene

  • Molecular FormulaC16H16N
  • Average mass222.304 Da
  • Monoisotopic mass222.127731 Da
  • ChemSpider ID128920106

  • Charge - Charge

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1S,9R)-1-Methyl-16-azoniatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaen [German] [ACD/IUPAC Name]
(1S,9R)-1-Methyl-16-azoniatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaene [ACD/IUPAC Name]
(1S,9R)-1-Méthyl-16-azoniatétracyclo[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-5-methyl-, conjugate acid, (5S,10R)- [ACD/Index Name]
(5S,10R)-5-methyl-10,11-dihydro-5H-5,10-epiminodibenzo[a,d][7]annulen-12-ium
dizocilpine cation
dizocilpine(1+)
  • Miscellaneous

    • Chemical Class:

      A secondary ammonium ion that is the conjugate acid of dizocilpine obtained by protonation of the secondary amino group. Major microspecies at pH 7.3. ChEBI CHEBI:176787

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

Density:
Boiling Point: 320.3±11.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 56.2±3.0 kJ/mol
Flash Point: 152.6±14.7 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 3.02
ACD/LogD (pH 5.5): 0.97
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.66
ACD/LogD (pH 7.4): 2.68
ACD/BCF (pH 7.4): 44.25
ACD/KOC (pH 7.4): 339.86
Polar Surface Area: 17 Å2
Polarizability:
Surface Tension:
Molar Volume:

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