ChemSpider 2D Image | (1R,2R)-1-[4-(Isopropylsulfanyl)phenyl]-2-(octylamino)-1-propanol | C20H35NOS

(1R,2R)-1-[4-(Isopropylsulfanyl)phenyl]-2-(octylamino)-1-propanol

  • Molecular FormulaC20H35NOS
  • Average mass337.563 Da
  • Monoisotopic mass337.243927 Da
  • ChemSpider ID34998796

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1R,2R)-1-[4-(Isopropylsulfanyl)phenyl]-2-(octylamino)-1-propanol [German] [ACD/IUPAC Name]
(1R,2R)-1-[4-(Isopropylsulfanyl)phenyl]-2-(octylamino)-1-propanol [ACD/IUPAC Name]
(1R,2R)-1-[4-(Isopropylsulfanyl)phényl]-2-(octylamino)-1-propanol [French] [ACD/IUPAC Name]
Benzenemethanol, 4-[(1-methylethyl)thio]-α-[(1R)-1-(octylamino)ethyl]-, (αR)- [ACD/Index Name]
(R*,R*)-4-(Isopropylthio)-α-(1-(octylamino)ethyl)benzyl alcohol
(R*,R*)-4-[isopropylthio]-α-[1-(octylamino)ethyl]benzyl alcohol
54767-44-1 [RN]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 467.3±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 76.8±3.0 kJ/mol
Flash Point: 236.4±25.9 °C
Index of Refraction: 1.529
Molar Refractivity: 104.7±0.4 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 6.14
ACD/LogD (pH 5.5): 3.07
ACD/BCF (pH 5.5): 23.41
ACD/KOC (pH 5.5): 44.64
ACD/LogD (pH 7.4): 3.88
ACD/BCF (pH 7.4): 150.18
ACD/KOC (pH 7.4): 286.33
Polar Surface Area: 58 Å2
Polarizability: 41.5±0.5 10-24cm3
Surface Tension: 40.0±5.0 dyne/cm
Molar Volume: 339.6±5.0 cm3

Click to predict properties on the Chemicalize site


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