ChemSpider 2D Image | (2S)-1-[(2S)-2,3-Dihydro-1,4-benzodioxin-2-ylmethoxy]-3-[(2-methyl-2-propanyl)amino]-2-propanol | C16H25NO4

(2S)-1-[(2S)-2,3-Dihydro-1,4-benzodioxin-2-ylmethoxy]-3-[(2-methyl-2-propanyl)amino]-2-propanol

  • Molecular FormulaC16H25NO4
  • Average mass295.374 Da
  • Monoisotopic mass295.178345 Da
  • ChemSpider ID34990656
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(2S)-1-[(2S)-2,3-Dihydro-1,4-benzodioxin-2-ylmethoxy]-3-[(2-methyl-2-propanyl)amino]-2-propanol [German] [ACD/IUPAC Name]
(2S)-1-[(2S)-2,3-Dihydro-1,4-benzodioxin-2-ylmethoxy]-3-[(2-methyl-2-propanyl)amino]-2-propanol [ACD/IUPAC Name]
(2S)-1-[(2S)-2,3-Dihydro-1,4-benzodioxin-2-ylméthoxy]-3-[(2-méthyl-2-propanyl)amino]-2-propanol [French] [ACD/IUPAC Name]
2-Propanol, 1-[[(2S)-2,3-dihydro-1,4-benzodioxin-2-yl]methoxy]-3-[(1,1-dimethylethyl)amino]-, (2S)- [ACD/Index Name]
80743-08-4 [RN]
Dioxadilol [INN]
UNII-G25Z4785LV

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

Density: 1.1±0.1 g/cm3
Boiling Point: 434.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.8±3.0 kJ/mol
Flash Point: 216.5±28.7 °C
Index of Refraction: 1.516
Molar Refractivity: 80.9±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 1.68
ACD/LogD (pH 5.5): -1.19
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.26
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.84
Polar Surface Area: 60 Å2
Polarizability: 32.1±0.5 10-24cm3
Surface Tension: 42.0±3.0 dyne/cm
Molar Volume: 268.1±3.0 cm3

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