ChemSpider 2D Image | 1-(Benzyloxy)-3-{isopropyl[(5-methyl-2-thienyl)methyl]amino}-2-propanol | C19H27NO2S

1-(Benzyloxy)-3-{isopropyl[(5-methyl-2-thienyl)methyl]amino}-2-propanol

  • Molecular FormulaC19H27NO2S
  • Average mass333.488 Da
  • Monoisotopic mass333.176239 Da
  • ChemSpider ID22625520

More details:

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

1-(Benzyloxy)-3-{isopropyl[(5-methyl-2-thienyl)methyl]amino}-2-propanol [ACD/IUPAC Name]
1-(Benzyloxy)-3-{isopropyl[(5-methyl-2-thienyl)methyl]amino}-2-propanol [German] [ACD/IUPAC Name]
1-(Benzyloxy)-3-{isopropyl[(5-méthyl-2-thiényl)méthyl]amino}-2-propanol [French] [ACD/IUPAC Name]
2-Propanol, 1-[(1-methylethyl)[(5-methyl-2-thienyl)methyl]amino]-3-(phenylmethoxy)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 461.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 76.1±3.0 kJ/mol
Flash Point: 232.8±28.7 °C
Index of Refraction: 1.569
Molar Refractivity: 98.2±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 5.19
ACD/LogD (pH 5.5): 2.38
ACD/BCF (pH 5.5): 13.82
ACD/KOC (pH 5.5): 69.47
ACD/LogD (pH 7.4): 3.92
ACD/BCF (pH 7.4): 487.60
ACD/KOC (pH 7.4): 2451.76
Polar Surface Area: 61 Å2
Polarizability: 38.9±0.5 10-24cm3
Surface Tension: 44.2±3.0 dyne/cm
Molar Volume: 299.6±3.0 cm3

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