ChemSpider 2D Image | (1R,2S)-2-{Methyl[(~2~H_3_)methyl]amino}-1-phenyl-1-propanol | C11H14D3NO

(1R,2S)-2-{Methyl[(2H3)methyl]amino}-1-phenyl-1-propanol

  • Molecular FormulaC11H14D3NO
  • Average mass182.277 Da
  • Monoisotopic mass182.149841 Da
  • ChemSpider ID78362020

  • 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-{Methyl[(2H3)methyl]amino}-1-phenyl-1-propanol [German] [ACD/IUPAC Name]
(1R,2S)-2-{Methyl[(2H3)methyl]amino}-1-phenyl-1-propanol [ACD/IUPAC Name]
(1R,2S)-2-{Méthyl[(2H3)méthyl]amino}-1-phényl-1-propanol [French] [ACD/IUPAC Name]
Benzenemethanol, α-[(1S)-1-(methylmethyl-d3-amino)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: 251.3±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 51.6±3.0 kJ/mol
Flash Point: 96.9±20.6 °C
Index of Refraction: 1.530
Molar Refractivity: 54.9±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.74
ACD/LogD (pH 5.5): -1.29
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.11
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.43
Polar Surface Area: 23 Å2
Polarizability: 21.8±0.5 10-24cm3
Surface Tension: 38.2±3.0 dyne/cm
Molar Volume: 177.7±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement