ChemSpider 2D Image | (1S,4R)-2-(6-Chloro-3-pyridinyl)(5,6-~3~H_2_)-7-azabicyclo[2.2.1]heptane | C11H11T2ClN2

(1S,4R)-2-(6-Chloro-3-pyridinyl)(5,6-3H2)-7-azabicyclo[2.2.1]heptane

  • Molecular FormulaC11H11T2ClN2
  • Average mass212.704 Da
  • Monoisotopic mass212.093170 Da
  • ChemSpider ID57259899

  • defined stereocentres - 2 of 3 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(1S,4R)-2-(6-Chlor-3-pyridinyl)(5,6-3H2)-7-azabicyclo[2.2.1]heptan [German] [ACD/IUPAC Name]
(1S,4R)-2-(6-Chloro-3-pyridinyl)(5,6-3H2)-7-azabicyclo[2.2.1]heptane [ACD/IUPAC Name]
(1S,4R)-2-(6-Chloro-3-pyridinyl)(5,6-3H2)-7-azabicyclo[2.2.1]heptane [French] [ACD/IUPAC Name]
7-Azabicyclo[2.2.1]heptane-2,3-t2, 5-(6-chloro-3-pyridinyl)-, (1R,4S)- [ACD/Index Name]
(±) EPIBATIDINE, [5,6-BICYCLOHEPTYL-3H]

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

Density:
Boiling Point: 336.7±32.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 58.0±3.0 kJ/mol
Flash Point: 157.4±25.1 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.26
ACD/LogD (pH 5.5): -1.59
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.99
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 25 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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