ChemSpider 2D Image | (2R)-1-{2-[(E)-2-(3-Methyl-1,2-oxazol-5-yl)vinyl]phenoxy}-3-[(2-methyl-2-propanyl)amino]-2-propanol | C19H26N2O3

(2R)-1-{2-[(E)-2-(3-Methyl-1,2-oxazol-5-yl)vinyl]phenoxy}-3-[(2-methyl-2-propanyl)amino]-2-propanol

  • Molecular FormulaC19H26N2O3
  • Average mass330.421 Da
  • Monoisotopic mass330.194336 Da
  • ChemSpider ID32809544
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(2R)-1-{2-[(E)-2-(3-Methyl-1,2-oxazol-5-yl)vinyl]phenoxy}-3-[(2-methyl-2-propanyl)amino]-2-propanol [German] [ACD/IUPAC Name]
(2R)-1-{2-[(E)-2-(3-Methyl-1,2-oxazol-5-yl)vinyl]phenoxy}-3-[(2-methyl-2-propanyl)amino]-2-propanol [ACD/IUPAC Name]
(2R)-1-{2-[(E)-2-(3-Méthyl-1,2-oxazol-5-yl)vinyl]phénoxy}-3-[(2-méthyl-2-propanyl)amino]-2-propanol [French] [ACD/IUPAC Name]
2-Propanol, 1-[(1,1-dimethylethyl)amino]-3-[2-[(E)-2-(3-methyl-5-isoxazolyl)ethenyl]phenoxy]-, (2R)- [ACD/Index Name]
75949-60-9 [RN]
Isoxaprolol [INN]
UNII-0Y84EU1HAA

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 527.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.4±3.0 kJ/mol
Flash Point: 272.5±30.1 °C
Index of Refraction: 1.582
Molar Refractivity: 98.4±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.15
ACD/LogD (pH 5.5): 0.02
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.93
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 7.92
Polar Surface Area: 68 Å2
Polarizability: 39.0±0.5 10-24cm3
Surface Tension: 44.3±3.0 dyne/cm
Molar Volume: 294.7±3.0 cm3

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