ChemSpider 2D Image | 1-[(1R,3r)-Adamantan-1-yl]-1H-1,2,4-triazole | C12H17N3

1-[(1R,3r)-Adamantan-1-yl]-1H-1,2,4-triazole

  • Molecular FormulaC12H17N3
  • Average mass203.283 Da
  • Monoisotopic mass203.142242 Da
  • ChemSpider ID57312385

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

1-[(1R,3r)-Adamantan-1-yl]-1H-1,2,4-triazol [German] [ACD/IUPAC Name]
1-[(1R,3r)-Adamantan-1-yl]-1H-1,2,4-triazole [ACD/IUPAC Name]
1-[(1R,3r)-Adamantan-1-yl]-1H-1,2,4-triazole [French] [ACD/IUPAC Name]
1H-1,2,4-Triazole, 1-[(1R)-tricyclo[3.3.1.13,7]dec-1-yl]- [ACD/Index Name]
1-(1-adamantyl)-1,2,4-triazole

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

Density: 1.5±0.1 g/cm3
Boiling Point: 344.4±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 58.8±3.0 kJ/mol
Flash Point: 162.1±23.2 °C
Index of Refraction: 1.792
Molar Refractivity: 58.2±0.5 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.02
ACD/LogD (pH 5.5): 2.60
ACD/BCF (pH 5.5): 55.26
ACD/KOC (pH 5.5): 613.81
ACD/LogD (pH 7.4): 2.60
ACD/BCF (pH 7.4): 55.62
ACD/KOC (pH 7.4): 617.77
Polar Surface Area: 31 Å2
Polarizability: 23.1±0.5 10-24cm3
Surface Tension: 63.2±7.0 dyne/cm
Molar Volume: 137.3±7.0 cm3

Click to predict properties on the Chemicalize site


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