ChemSpider 2D Image | (1S,5R)-1-(4-Methylphenyl)(4,4,5,6,6-~2~H_5_)-3-azabicyclo[3.1.0]hexane | C12H10D5N

(1S,5R)-1-(4-Methylphenyl)(4,4,5,6,6-2H5)-3-azabicyclo[3.1.0]hexane

  • Molecular FormulaC12H10D5N
  • Average mass178.285 Da
  • Monoisotopic mass178.151840 Da
  • ChemSpider ID17278307
  • 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

(1S,5R)-1-(4-Methylphenyl)(4,4,5,6,6-2H5)-3-azabicyclo[3.1.0]hexan [German] [ACD/IUPAC Name]
(1S,5R)-1-(4-Methylphenyl)(4,4,5,6,6-2H5)-3-azabicyclo[3.1.0]hexane [ACD/IUPAC Name]
(1S,5R)-1-(4-Méthylphényl)(4,4,5,6,6-2H5)-3-azabicyclo[3.1.0]hexane [French] [ACD/IUPAC Name]
3-Azabicyclo[3.1.0]hexane-1,2,2,6,6-d5, 5-(4-methylphenyl)-, (1R,5S)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 276.4±9.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 51.5±3.0 kJ/mol
Flash Point: 125.0±14.2 °C
Index of Refraction: 1.591
Molar Refractivity: 53.6±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.97
ACD/LogD (pH 5.5): -0.86
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.74
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 12 Å2
Polarizability: 21.3±0.5 10-24cm3
Surface Tension: 47.1±3.0 dyne/cm
Molar Volume: 158.7±3.0 cm3

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