ChemSpider 2D Image | (2R)-1-(Isopropylamino)-3-[2-(methylsulfanyl)phenoxy]-2-propanol | C13H21NO2S

(2R)-1-(Isopropylamino)-3-[2-(methylsulfanyl)phenoxy]-2-propanol

  • Molecular FormulaC13H21NO2S
  • Average mass255.376 Da
  • Monoisotopic mass255.129303 Da
  • ChemSpider ID32809567

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R)-1-(Isopropylamino)-3-[2-(methylsulfanyl)phenoxy]-2-propanol [German] [ACD/IUPAC Name]
(2R)-1-(Isopropylamino)-3-[2-(methylsulfanyl)phenoxy]-2-propanol [ACD/IUPAC Name]
(2R)-1-(Isopropylamino)-3-[2-(méthylsulfanyl)phénoxy]-2-propanol [French] [ACD/IUPAC Name]
2-Propanol, 1-[(1-methylethyl)amino]-3-[2-(methylthio)phenoxy]-, (2R)- [ACD/Index Name]
26481-51-6 [RN]
tiprenolol [Wiki]
UNII-R86K1U4O7J

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

Density: 1.1±0.1 g/cm3
Boiling Point: 407.8±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 69.6±3.0 kJ/mol
Flash Point: 200.5±27.3 °C
Index of Refraction: 1.553
Molar Refractivity: 74.1±0.4 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.15
ACD/LogD (pH 5.5): -0.76
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.20
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.40
Polar Surface Area: 67 Å2
Polarizability: 29.4±0.5 10-24cm3
Surface Tension: 44.1±5.0 dyne/cm
Molar Volume: 231.4±5.0 cm3

Click to predict properties on the Chemicalize site


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