ChemSpider 2D Image | (1R,2S)-2-(Methylamino)-1-(~2~H_5_)phenyl-1-propanol | C10H10D5NO

(1R,2S)-2-(Methylamino)-1-(2H5)phenyl-1-propanol

  • Molecular FormulaC10H10D5NO
  • Average mass170.263 Da
  • Monoisotopic mass170.146744 Da
  • ChemSpider ID78361990

  • defined stereocentres - 2 of 2 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(1R,2S)-2-(Methylamino)-1-(2H5)phenyl-1-propanol [German] [ACD/IUPAC Name]
(1R,2S)-2-(Methylamino)-1-(2H5)phenyl-1-propanol [ACD/IUPAC Name]
(1R,2S)-2-(Méthylamino)-1-(2H5)phényl-1-propanol [French] [ACD/IUPAC Name]
Benzene-2,3,4,5,6-d5-methanol, α-[(1S)-1-(methylamino)ethyl]-, (αR)- [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: 255.0±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 52.0±3.0 kJ/mol
Flash Point: 85.6±0.0 °C
Index of Refraction: 1.529
Molar Refractivity: 50.2±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.05
ACD/LogD (pH 5.5): -1.78
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.75
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.12
Polar Surface Area: 32 Å2
Polarizability: 19.9±0.5 10-24cm3
Surface Tension: 38.1±3.0 dyne/cm
Molar Volume: 162.7±3.0 cm3

Click to predict properties on the Chemicalize site


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