ChemSpider 2D Image | 1-[4-(3-Chlorophenyl)-1-piperazinyl]-4-[(1,7,7-trimethylbicyclo[2.2.1]hept-2-yl)oxy]-2-butanol | C24H37ClN2O2

1-[4-(3-Chlorophenyl)-1-piperazinyl]-4-[(1,7,7-trimethylbicyclo[2.2.1]hept-2-yl)oxy]-2-butanol

  • Molecular FormulaC24H37ClN2O2
  • Average mass421.016 Da
  • Monoisotopic mass420.254364 Da
  • ChemSpider ID21663056

More details:

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

1-[4-(3-Chlorophenyl)-1-piperazinyl]-4-[(1,7,7-trimethylbicyclo[2.2.1]hept-2-yl)oxy]-2-butanol [ACD/IUPAC Name]
1-[4-(3-Chlorophényl)-1-pipérazinyl]-4-[(1,7,7-triméthylbicyclo[2.2.1]hept-2-yl)oxy]-2-butanol [French] [ACD/IUPAC Name]
1-[4-(3-Chlorphenyl)-1-piperazinyl]-4-[(1,7,7-trimethylbicyclo[2.2.1]hept-2-yl)oxy]-2-butanol [German] [ACD/IUPAC Name]
1-Piperazineethanol, 4-(3-chlorophenyl)-α-[2-[(1,7,7-trimethylbicyclo[2.2.1]hept-2-yl)oxy]ethyl]- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 541.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 86.3±3.0 kJ/mol
Flash Point: 281.5±30.1 °C
Index of Refraction: 1.585
Molar Refractivity: 119.8±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 6.38
ACD/LogD (pH 5.5): 3.89
ACD/BCF (pH 5.5): 253.21
ACD/KOC (pH 5.5): 757.06
ACD/LogD (pH 7.4): 5.13
ACD/BCF (pH 7.4): 4427.24
ACD/KOC (pH 7.4): 13236.59
Polar Surface Area: 36 Å2
Polarizability: 47.5±0.5 10-24cm3
Surface Tension: 49.9±5.0 dyne/cm
Molar Volume: 357.5±5.0 cm3

Click to predict properties on the Chemicalize site


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