ChemSpider 2D Image | (8S,9R)-Tricyclo[6.2.2.0~2,7~]dodeca-2,4,6-trien-9-amine | C12H15N

(8S,9R)-Tricyclo[6.2.2.02,7]dodeca-2,4,6-trien-9-amine

  • Molecular FormulaC12H15N
  • Average mass173.254 Da
  • Monoisotopic mass173.120453 Da
  • ChemSpider ID23153314
  • defined stereocentres - 1 of 3 defined stereocentres


More details:






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

(8S,9R)-Tricyclo[6.2.2.02,7]dodeca-2,4,6-trien-9-amin [German] [ACD/IUPAC Name]
(8S,9R)-Tricyclo[6.2.2.02,7]dodeca-2,4,6-trien-9-amine [ACD/IUPAC Name]
(8S,9R)-Tricyclo[6.2.2.02,7]dodéca-2,4,6-trién-9-amine [French] [ACD/IUPAC Name]
1,4-Ethanonaphthalen-2-amine, 1,2,3,4-tetrahydro-, (1S,2R)- [ACD/Index Name]
(9R)-tricyclo[6.2.2.02,7]dodeca-2(7),3,5-trien-9-amine
Tricyclo[6.2.2.0*2,7*]dodeca-2(7),3,5-trien-9-ylamine

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 292.0±29.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 53.2±3.0 kJ/mol
Flash Point: 138.7±19.6 °C
Index of Refraction: 1.587
Molar Refractivity: 53.9±0.3 cm3
#H bond acceptors: 1
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 2.51
ACD/LogD (pH 5.5): -0.87
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.32
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.10
Polar Surface Area: 26 Å2
Polarizability: 21.4±0.5 10-24cm3
Surface Tension: 43.7±3.0 dyne/cm
Molar Volume: 160.3±3.0 cm3

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