ChemSpider 2D Image | 2-Amino-2-(2-{4-[(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-~2~H_15_)octyl]phenyl}ethyl)-1,3-propanediol | C19H18D15NO2

2-Amino-2-(2-{4-[(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-2H15)octyl]phenyl}ethyl)-1,3-propanediol

  • Molecular FormulaC19H18D15NO2
  • Average mass322.563 Da
  • Monoisotopic mass322.345276 Da
  • ChemSpider ID57558863

  • Non-standard isotope - Non-standard isotope

More details:

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

1,3-Propanediol, 2-amino-2-[2-[4-(octyl-2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-d15)phenyl]ethyl]- [ACD/Index Name]
2-Amino-2-(2-{4-[(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-2H15)octyl]phenyl}ethyl)-1,3-propandiol [German] [ACD/IUPAC Name]
2-Amino-2-(2-{4-[(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-2H15)octyl]phenyl}ethyl)-1,3-propanediol [ACD/IUPAC Name]
2-Amino-2-(2-{4-[(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-2H15)octyl]phényl}éthyl)-1,3-propanediol [French] [ACD/IUPAC Name]
1150659-35-0 [RN]
2-Amino-2-{2-[4-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-2H15)octylphenyl]ethyl}propane-1,3-diol

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

Density: 1.0±0.1 g/cm3
Boiling Point: 479.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.4±3.0 kJ/mol
Flash Point: 243.8±28.7 °C
Index of Refraction: 1.531
Molar Refractivity: 93.6±0.3 cm3
#H bond acceptors: 3
#H bond donors: 4
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 5.25
ACD/LogD (pH 5.5): 1.54
ACD/BCF (pH 5.5): 1.58
ACD/KOC (pH 5.5): 6.43
ACD/LogD (pH 7.4): 2.16
ACD/BCF (pH 7.4): 6.70
ACD/KOC (pH 7.4): 27.26
Polar Surface Area: 66 Å2
Polarizability: 37.1±0.5 10-24cm3
Surface Tension: 43.4±3.0 dyne/cm
Molar Volume: 302.4±3.0 cm3

Click to predict properties on the Chemicalize site


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