ChemSpider 2D Image | 1-[(1r,3r,5r,7r)-Adamantan-2-yl]-4-benzylpiperazine | C21H30N2

1-[(1r,3r,5r,7r)-Adamantan-2-yl]-4-benzylpiperazine

  • Molecular FormulaC21H30N2
  • Average mass310.476 Da
  • Monoisotopic mass310.240906 Da
  • ChemSpider ID34559404

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

1-[(1r,3r,5r,7r)-Adamantan-2-yl]-4-benzylpiperazin [German] [ACD/IUPAC Name]
1-[(1r,3r,5r,7r)-Adamantan-2-yl]-4-benzylpiperazine [ACD/IUPAC Name]
1-[(1r,3r,5r,7r)-Adamantan-2-yl]-4-benzylpipérazine [French] [ACD/IUPAC Name]
Piperazine, 1-(phenylmethyl)-4-tricyclo[3.3.1.13,7]dec-2-yl- [ACD/Index Name]
1-(2-adamantyl)-4-benzylpiperazine

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

Density: 1.1±0.1 g/cm3
Boiling Point: 425.1±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.0±3.0 kJ/mol
Flash Point: 190.1±11.0 °C
Index of Refraction: 1.594
Molar Refractivity: 95.0±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.82
ACD/LogD (pH 5.5): 1.92
ACD/BCF (pH 5.5): 5.42
ACD/KOC (pH 5.5): 30.20
ACD/LogD (pH 7.4): 3.57
ACD/BCF (pH 7.4): 243.05
ACD/KOC (pH 7.4): 1354.44
Polar Surface Area: 6 Å2
Polarizability: 37.7±0.5 10-24cm3
Surface Tension: 46.0±3.0 dyne/cm
Molar Volume: 280.0±3.0 cm3

Click to predict properties on the Chemicalize site


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