ChemSpider 2D Image | (2R)-1-(Phenylsulfanyl)-2-propanamine | C9H13NS

(2R)-1-(Phenylsulfanyl)-2-propanamine

  • Molecular FormulaC9H13NS
  • Average mass167.271 Da
  • Monoisotopic mass167.076874 Da
  • ChemSpider ID25047325

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R)-1-(Phenylsulfanyl)-2-propanamin [German] [ACD/IUPAC Name]
(2R)-1-(Phenylsulfanyl)-2-propanamine [ACD/IUPAC Name]
(2R)-1-(Phénylsulfanyl)-2-propanamine [French] [ACD/IUPAC Name]
2-Propanamine, 1-(phenylthio)-, (2R)- [ACD/Index Name]
122673-69-2 [RN]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 262.3±23.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 50.0±3.0 kJ/mol
Flash Point: 112.4±22.6 °C
Index of Refraction: 1.576
Molar Refractivity: 52.3±0.4 cm3
#H bond acceptors: 1
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.17
ACD/LogD (pH 5.5): -0.81
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.69
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 13.15
Polar Surface Area: 51 Å2
Polarizability: 20.7±0.5 10-24cm3
Surface Tension: 42.9±5.0 dyne/cm
Molar Volume: 157.8±5.0 cm3

Click to predict properties on the Chemicalize site


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