ChemSpider 2D Image | 2-Isopropoxyethyl 4-[2-hydroxy-3-(isopropylamino)propoxy]benzoate | C18H29NO5

2-Isopropoxyethyl 4-[2-hydroxy-3-(isopropylamino)propoxy]benzoate

  • Molecular FormulaC18H29NO5
  • Average mass339.427 Da
  • Monoisotopic mass339.204559 Da
  • ChemSpider ID21475359

More details:

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

2-Isopropoxyethyl 4-[2-hydroxy-3-(isopropylamino)propoxy]benzoate [ACD/IUPAC Name]
2-Isopropoxyethyl-4-[2-hydroxy-3-(isopropylamino)propoxy]benzoat [German] [ACD/IUPAC Name]
4-[2-Hydroxy-3-(isopropylamino)propoxy]benzoate de 2-isopropoxyéthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-[2-hydroxy-3-[(1-methylethyl)amino]propoxy]-, 2-(1-methylethoxy)ethyl ester [ACD/Index Name]
[864544-37-6] [RN]
2-(methylethoxy)ethyl 4-{2-hydroxy-3-[(methylethyl)amino]propoxy}benzoate
2-[(Propan-2-yl)oxy]ethyl 4-{2-hydroxy-3-[(propan-2-yl)amino]propoxy}benzoate
2-Isopropoxyethyl 4-(2-hydroxy-3-(isopropylamino)propoxy)benzoate
2-ISOPROPOXYETHYL 4-[((2RS)-2-HYDROXY-3-(ISOPROPYLAMINO)PROPYL)-OXY]BENZOATE
2-Isopropoxyethyl 4-[[(2RS)-2-Hydroxy-3-(isopropylamino)propyl]oxy]benzoate
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 464.6±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 76.5±3.0 kJ/mol
Flash Point: 234.8±27.3 °C
Index of Refraction: 1.506
Molar Refractivity: 93.2±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 0
ACD/LogP: 2.56
ACD/LogD (pH 5.5): -0.46
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.56
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.81
Polar Surface Area: 77 Å2
Polarizability: 36.9±0.5 10-24cm3
Surface Tension: 38.9±3.0 dyne/cm
Molar Volume: 313.7±3.0 cm3

Click to predict properties on the Chemicalize site


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