ChemSpider 2D Image | (2R)-1-[(2-Methyl-2-propanyl)amino]-3-{2-[(2R)-tetrahydro-2-furanylmethoxy]phenoxy}-2-propanol | C18H29NO4

(2R)-1-[(2-Methyl-2-propanyl)amino]-3-{2-[(2R)-tetrahydro-2-furanylmethoxy]phenoxy}-2-propanol

  • Molecular FormulaC18H29NO4
  • Average mass323.427 Da
  • Monoisotopic mass323.209656 Da
  • ChemSpider ID34995111

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2R)-1-[(2-Methyl-2-propanyl)amino]-3-{2-[(2R)-tetrahydro-2-furanylmethoxy]phenoxy}-2-propanol [German] [ACD/IUPAC Name]
(2R)-1-[(2-Methyl-2-propanyl)amino]-3-{2-[(2R)-tetrahydro-2-furanylmethoxy]phenoxy}-2-propanol [ACD/IUPAC Name]
(2R)-1-[(2-Méthyl-2-propanyl)amino]-3-{2-[(2R)-tétrahydro-2-furanylméthoxy]phénoxy}-2-propanol [French] [ACD/IUPAC Name]
2-Propanol, 1-[(1,1-dimethylethyl)amino]-3-[2-[[(2R)-tetrahydro-2-furanyl]methoxy]phenoxy]-, (2R)- [ACD/Index Name]
53684-49-4 [RN]
bufetolol [INN] [Wiki]
UNII-WS1467RT9Z

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

Density: 1.1±0.1 g/cm3
Boiling Point: 476.4±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.0±3.0 kJ/mol
Flash Point: 241.9±25.9 °C
Index of Refraction: 1.517
Molar Refractivity: 90.5±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 1.67
ACD/LogD (pH 5.5): -1.05
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.16
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.99
Polar Surface Area: 60 Å2
Polarizability: 35.9±0.5 10-24cm3
Surface Tension: 40.4±3.0 dyne/cm
Molar Volume: 299.0±3.0 cm3

Click to predict properties on the Chemicalize site


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