ChemSpider 2D Image | LSM-6403 | C21H29NO

LSM-6403

  • Molecular FormulaC21H29NO
  • Average mass311.461 Da
  • Monoisotopic mass311.224915 Da
  • ChemSpider ID58164385
  • defined stereocentres - 2 of 4 defined stereocentres


More details:






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

1-[(1S,4S)-Bicyclo[2.2.1]hept-5-en-2-yl]-1-phenyl-3-(1-piperidinyl)-1-propanol [German] [ACD/IUPAC Name]
1-[(1S,4S)-Bicyclo[2.2.1]hept-5-en-2-yl]-1-phenyl-3-(1-piperidinyl)-1-propanol [ACD/IUPAC Name]
1-[(1S,4S)-Bicyclo[2.2.1]hept-5-én-2-yl]-1-phényl-3-(1-pipéridinyl)-1-propanol [French] [ACD/IUPAC Name]
1-Piperidinepropanol, α-[(1S,4S)-bicyclo[2.2.1]hept-5-en-2-yl]-α-phenyl- [ACD/Index Name]
LSM-6403

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

Density: 1.1±0.1 g/cm3
Boiling Point: 462.1±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 76.2±3.0 kJ/mol
Flash Point: 224.5±26.0 °C
Index of Refraction: 1.583
Molar Refractivity: 94.1±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.01
ACD/LogD (pH 5.5): 1.17
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.38
ACD/LogD (pH 7.4): 2.35
ACD/BCF (pH 7.4): 12.92
ACD/KOC (pH 7.4): 65.07
Polar Surface Area: 23 Å2
Polarizability: 37.3±0.5 10-24cm3
Surface Tension: 46.9±3.0 dyne/cm
Molar Volume: 281.7±3.0 cm3

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