ChemSpider 2D Image | Isotimolol | C13H24N4O3S

Isotimolol

  • Molecular FormulaC13H24N4O3S
  • Average mass316.420 Da
  • Monoisotopic mass316.156921 Da
  • ChemSpider ID28469097

More details:






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

1-Propanol, 3-[(1,1-dimethylethyl)amino]-2-[[4-(4-morpholinyl)-1,2,5-thiadiazol-3-yl]oxy]- [ACD/Index Name]
3-[(2-Methyl-2-propanyl)amino]-2-{[4-(4-morpholinyl)-1,2,5-thiadiazol-3-yl]oxy}-1-propanol [German] [ACD/IUPAC Name]
3-[(2-Methyl-2-propanyl)amino]-2-{[4-(4-morpholinyl)-1,2,5-thiadiazol-3-yl]oxy}-1-propanol [ACD/IUPAC Name]
3-[(2-Méthyl-2-propanyl)amino]-2-{[4-(4-morpholinyl)-1,2,5-thiadiazol-3-yl]oxy}-1-propanol [French] [ACD/IUPAC Name]
59697-06-2 [RN]
Isotimolol
3-(tert-butylamino)-2-(4-morpholino-1,2,5-thiadiazol-3-yloxy)propan-1-ol
rac-Isotimolol

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

66OA8AMH50 [DBID]
UNII:66OA8AMH50 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 484.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 79.0±3.0 kJ/mol
Flash Point: 246.9±28.7 °C
Index of Refraction: 1.549
Molar Refractivity: 82.2±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 0.97
ACD/LogD (pH 5.5): -1.28
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.18
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 6.63
Polar Surface Area: 108 Å2
Polarizability: 32.6±0.5 10-24cm3
Surface Tension: 52.5±3.0 dyne/cm
Molar Volume: 258.5±3.0 cm3

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