ChemSpider 2D Image | (2S)-1-(2-Methoxyphenoxy)-3-[(~2~H_7_)-2-propanylamino]-2-propanol | C13H14D7NO3

(2S)-1-(2-Methoxyphenoxy)-3-[(2H7)-2-propanylamino]-2-propanol

  • Molecular FormulaC13H14D7NO3
  • Average mass246.354 Da
  • Monoisotopic mass246.196075 Da
  • ChemSpider ID107445012

  • defined stereocentres - 1 of 1 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(2S)-1-(2-Methoxyphenoxy)-3-[(2H7)-2-propanylamino]-2-propanol [German] [ACD/IUPAC Name]
(2S)-1-(2-Methoxyphenoxy)-3-[(2H7)-2-propanylamino]-2-propanol [ACD/IUPAC Name]
(2S)-1-(2-Méthoxyphénoxy)-3-[(2H7)-2-propanylamino]-2-propanol [French] [ACD/IUPAC Name]
2-Propanol, 1-(2-methoxyphenoxy)-3-[[1-(methyl-d3)ethyl-1,2,2,2-d4]amino]-, (2S)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 379.3±32.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 66.2±3.0 kJ/mol
Flash Point: 183.2±25.1 °C
Index of Refraction: 1.509
Molar Refractivity: 67.8±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 1.49
ACD/LogD (pH 5.5): -1.44
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.49
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.40
Polar Surface Area: 51 Å2
Polarizability: 26.9±0.5 10-24cm3
Surface Tension: 36.7±3.0 dyne/cm
Molar Volume: 227.0±3.0 cm3

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