ChemSpider 2D Image | 4-[(2R)-3-{Ethyl[3-(propylsulfinyl)propyl]amino}-2-hydroxypropoxy]benzonitrile | C18H28N2O3S

4-[(2R)-3-{Ethyl[3-(propylsulfinyl)propyl]amino}-2-hydroxypropoxy]benzonitrile

  • Molecular FormulaC18H28N2O3S
  • Average mass352.491 Da
  • Monoisotopic mass352.182068 Da
  • ChemSpider ID18671839

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

4-[(2R)-3-{Ethyl[3-(propylsulfinyl)propyl]amino}-2-hydroxypropoxy]benzonitril [German] [ACD/IUPAC Name]
4-[(2R)-3-{Ethyl[3-(propylsulfinyl)propyl]amino}-2-hydroxypropoxy]benzonitrile [ACD/IUPAC Name]
4-[(2R)-3-{Éthyl[3-(propylsulfinyl)propyl]amino}-2-hydroxypropoxy]benzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 4-[(2R)-3-[ethyl[3-(propylsulfinyl)propyl]amino]-2-hydroxypropoxy]- [ACD/Index Name]
Almokalant [INN] [Wiki]

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.567
Molar Refractivity: 98.3±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 14
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 80 Å2
Polarizability: 39.0±0.5 10-24cm3
Surface Tension: 57.1±5.0 dyne/cm
Molar Volume: 300.8±5.0 cm3

Click to predict properties on the Chemicalize site


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