ChemSpider 2D Image | (1S,2R)-1-(4-Ethylphenyl)-2-(methylamino)-1-propanol | C12H19NO

(1S,2R)-1-(4-Ethylphenyl)-2-(methylamino)-1-propanol

  • Molecular FormulaC12H19NO
  • Average mass193.285 Da
  • Monoisotopic mass193.146667 Da
  • ChemSpider ID75242995
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(1S,2R)-1-(4-Ethylphenyl)-2-(methylamino)-1-propanol [German] [ACD/IUPAC Name]
(1S,2R)-1-(4-Ethylphenyl)-2-(methylamino)-1-propanol [ACD/IUPAC Name]
(1S,2R)-1-(4-Éthylphényl)-2-(méthylamino)-1-propanol [French] [ACD/IUPAC Name]
Benzenemethanol, 4-ethyl-α-[(1R)-1-(methylamino)ethyl]-, (αS)- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 297.3±7.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 56.7±3.0 kJ/mol
Flash Point: 90.7±8.7 °C
Index of Refraction: 1.523
Molar Refractivity: 59.7±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.05
ACD/LogD (pH 5.5): -1.10
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.19
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.96
Polar Surface Area: 32 Å2
Polarizability: 23.7±0.5 10-24cm3
Surface Tension: 36.6±3.0 dyne/cm
Molar Volume: 195.5±3.0 cm3

Click to predict properties on the Chemicalize site






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