ChemSpider 2D Image | (2S)-1-(2,3-Dimethylphenoxy)-3-[(2-methyl-2-propanyl)amino]-2-propanol | C15H25NO2

(2S)-1-(2,3-Dimethylphenoxy)-3-[(2-methyl-2-propanyl)amino]-2-propanol

  • Molecular FormulaC15H25NO2
  • Average mass251.365 Da
  • Monoisotopic mass251.188522 Da
  • ChemSpider ID34983639

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-1-(2,3-Dimethylphenoxy)-3-[(2-methyl-2-propanyl)amino]-2-propanol [German] [ACD/IUPAC Name]
(2S)-1-(2,3-Dimethylphenoxy)-3-[(2-methyl-2-propanyl)amino]-2-propanol [ACD/IUPAC Name]
(2S)-1-(2,3-Diméthylphénoxy)-3-[(2-méthyl-2-propanyl)amino]-2-propanol [French] [ACD/IUPAC Name]
2-Propanol, 1-[(1,1-dimethylethyl)amino]-3-(2,3-dimethylphenoxy)-, (2S)- [ACD/Index Name]
30187-90-7 [RN]
UNII-0871JY946G
xibenolol

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

1S007TJ8O8 [DBID]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 384.8±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 66.8±3.0 kJ/mol
Flash Point: 186.5±27.9 °C
Index of Refraction: 1.511
Molar Refractivity: 75.4±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.13
ACD/LogD (pH 5.5): 0.06
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.03
ACD/LogD (pH 7.4): 0.89
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 6.87
Polar Surface Area: 41 Å2
Polarizability: 29.9±0.5 10-24cm3
Surface Tension: 35.6±3.0 dyne/cm
Molar Volume: 251.8±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement