ChemSpider 2D Image | (1S,2S)-2-(Isopropylamino)-1-(4-methylphenyl)-1-propanol | C13H21NO

(1S,2S)-2-(Isopropylamino)-1-(4-methylphenyl)-1-propanol

  • Molecular FormulaC13H21NO
  • Average mass207.312 Da
  • Monoisotopic mass207.162308 Da
  • ChemSpider ID75240757

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1S,2S)-2-(Isopropylamino)-1-(4-methylphenyl)-1-propanol [German] [ACD/IUPAC Name]
(1S,2S)-2-(Isopropylamino)-1-(4-methylphenyl)-1-propanol [ACD/IUPAC Name]
(1S,2S)-2-(Isopropylamino)-1-(4-méthylphényl)-1-propanol [French] [ACD/IUPAC Name]
Benzenemethanol, 4-methyl-α-[(1S)-1-[(1-methylethyl)amino]ethyl]-, (αS)- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 308.0±9.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 57.9±3.0 kJ/mol
Flash Point: 83.2±9.3 °C
Index of Refraction: 1.517
Molar Refractivity: 64.2±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.39
ACD/LogD (pH 5.5): -0.82
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.25
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.07
Polar Surface Area: 32 Å2
Polarizability: 25.5±0.5 10-24cm3
Surface Tension: 35.6±3.0 dyne/cm
Molar Volume: 212.4±3.0 cm3

Click to predict properties on the Chemicalize site


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