ChemSpider 2D Image | (1S,2R)-2-Amino-1-phenyl-1-(3,3,3-~2~H_3_)propanol | C9H10D3NO

(1S,2R)-2-Amino-1-phenyl-1-(3,3,3-2H3)propanol

  • Molecular FormulaC9H10D3NO
  • Average mass154.224 Da
  • Monoisotopic mass154.118546 Da
  • ChemSpider ID78362009

  • 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-Amino-1-phenyl-1-(3,3,3-2H3)propanol [German] [ACD/IUPAC Name]
(1S,2R)-2-Amino-1-phenyl-1-(3,3,3-2H3)propanol [ACD/IUPAC Name]
(1S,2R)-2-Amino-1-phényl-1-(3,3,3-2H3)propanol [French] [ACD/IUPAC Name]
Benzenemethanol, α-[(1R)-1-aminoethyl-2,2,2-d3]-, (αS)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 288.1±20.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 55.7±3.0 kJ/mol
Flash Point: 128.1±21.8 °C
Index of Refraction: 1.558
Molar Refractivity: 45.5±0.3 cm3
#H bond acceptors: 2
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.81
ACD/LogD (pH 5.5): -2.29
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.15
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 46 Å2
Polarizability: 18.0±0.5 10-24cm3
Surface Tension: 45.1±3.0 dyne/cm
Molar Volume: 141.1±3.0 cm3

Click to predict properties on the Chemicalize site


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