ChemSpider 2D Image | (1R,2S)-1-(4-Chlorophenyl)-3-(dimethylamino)-1-phenyl-2-propanol | C17H20ClNO

(1R,2S)-1-(4-Chlorophenyl)-3-(dimethylamino)-1-phenyl-2-propanol

  • Molecular FormulaC17H20ClNO
  • Average mass289.800 Da
  • Monoisotopic mass289.123352 Da
  • ChemSpider ID34993569

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1R,2S)-1-(4-Chlorophenyl)-3-(dimethylamino)-1-phenyl-2-propanol [ACD/IUPAC Name]
(1R,2S)-1-(4-Chlorophényl)-3-(diméthylamino)-1-phényl-2-propanol [French] [ACD/IUPAC Name]
(1R,2S)-1-(4-Chlorphenyl)-3-(dimethylamino)-1-phenyl-2-propanol [German] [ACD/IUPAC Name]
Benzeneethanol, 4-chloro-α-[(dimethylamino)methyl]-β-phenyl-, (αS,βR)- [ACD/Index Name]
71827-56-0 [RN]
clemeprol
UNII-R3TC4SEW5A

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

Density: 1.1±0.1 g/cm3
Boiling Point: 424.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.6±3.0 kJ/mol
Flash Point: 210.5±28.7 °C
Index of Refraction: 1.581
Molar Refractivity: 84.2±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.09
ACD/LogD (pH 5.5): 1.07
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.02
ACD/LogD (pH 7.4): 2.68
ACD/BCF (pH 7.4): 33.90
ACD/KOC (pH 7.4): 204.72
Polar Surface Area: 23 Å2
Polarizability: 33.4±0.5 10-24cm3
Surface Tension: 44.3±3.0 dyne/cm
Molar Volume: 252.7±3.0 cm3

Click to predict properties on the Chemicalize site


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