ChemSpider 2D Image | (2R)-1-(Isopropylamino)-3-{[4-(methylsulfanyl)-1-naphthyl]oxy}-2-propanol | C17H23NO2S

(2R)-1-(Isopropylamino)-3-{[4-(methylsulfanyl)-1-naphthyl]oxy}-2-propanol

  • Molecular FormulaC17H23NO2S
  • Average mass305.435 Da
  • Monoisotopic mass305.144958 Da
  • ChemSpider ID81368355

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R)-1-(Isopropylamino)-3-{[4-(methylsulfanyl)-1-naphthyl]oxy}-2-propanol [German] [ACD/IUPAC Name]
(2R)-1-(Isopropylamino)-3-{[4-(methylsulfanyl)-1-naphthyl]oxy}-2-propanol [ACD/IUPAC Name]
(2R)-1-(Isopropylamino)-3-{[4-(méthylsulfanyl)-1-naphtyl]oxy}-2-propanol [French] [ACD/IUPAC Name]
2-Propanol, 1-[(1-methylethyl)amino]-3-[[4-(methylthio)-1-naphthalenyl]oxy]-, (2R)- [ACD/Index Name]
127708-90-1 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 493.7±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 80.1±3.0 kJ/mol
Flash Point: 252.4±27.3 °C
Index of Refraction: 1.609
Molar Refractivity: 91.6±0.4 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.61
ACD/LogD (pH 5.5): 0.84
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.75
ACD/LogD (pH 7.4): 1.76
ACD/BCF (pH 7.4): 3.91
ACD/KOC (pH 7.4): 22.78
Polar Surface Area: 67 Å2
Polarizability: 36.3±0.5 10-24cm3
Surface Tension: 49.2±5.0 dyne/cm
Molar Volume: 264.7±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement