ChemSpider 2D Image | (3alpha,5beta)-Cholestan-3-amine | C27H49N

(3α,5β)-Cholestan-3-amine

  • Molecular FormulaC27H49N
  • Average mass387.685 Da
  • Monoisotopic mass387.386505 Da
  • ChemSpider ID32808377
  • defined stereocentres - 9 of 9 defined stereocentres


More details:






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

(3α,5β)-Cholestan-3-amin [German] [ACD/IUPAC Name]
(3α,5β)-Cholestan-3-amine [ACD/IUPAC Name]
(3α,5β)-Cholestan-3-amine [French] [ACD/IUPAC Name]
Cholestan-3-amine, (3α,5β)- [ACD/Index Name]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 463.5±14.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.5±3.0 kJ/mol
Flash Point: 228.3±15.4 °C
Index of Refraction: 1.499
Molar Refractivity: 122.3±0.3 cm3
#H bond acceptors: 1
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 10.27
ACD/LogD (pH 5.5): 5.17
ACD/BCF (pH 5.5): 897.84
ACD/KOC (pH 5.5): 595.67
ACD/LogD (pH 7.4): 5.30
ACD/BCF (pH 7.4): 1217.23
ACD/KOC (pH 7.4): 807.58
Polar Surface Area: 26 Å2
Polarizability: 48.5±0.5 10-24cm3
Surface Tension: 33.1±3.0 dyne/cm
Molar Volume: 416.7±3.0 cm3

Click to predict properties on the Chemicalize site






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