ChemSpider 2D Image | (1S,2R)-2-[(~2~H_3_)Methylamino]-1-phenyl-1-(3,3,3-~2~H_3_)propanol | C10H9D6NO

(1S,2R)-2-[(2H3)Methylamino]-1-phenyl-1-(3,3,3-2H3)propanol

  • Molecular FormulaC10H9D6NO
  • Average mass171.269 Da
  • Monoisotopic mass171.153030 Da
  • ChemSpider ID78362029

  • 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

(1S,2R)-2-[(2H3)Methylamino]-1-phenyl-1-(3,3,3-2H3)propanol [German] [ACD/IUPAC Name]
(1S,2R)-2-[(2H3)Methylamino]-1-phenyl-1-(3,3,3-2H3)propanol [ACD/IUPAC Name]
(1S,2R)-2-[(2H3)Méthylamino]-1-phényl-1-(3,3,3-2H3)propanol [French] [ACD/IUPAC Name]
Benzenemethanol, α-[(1R)-1-(methyl-d3-amino)ethyl-2,2,2-d3]-, (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: 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


Advertisement