ChemSpider 2D Image | (R)-(-)-Dysoxyline | C21H25NO4

(R)-(-)-Dysoxyline

  • Molecular FormulaC21H25NO4
  • Average mass355.427 Da
  • Monoisotopic mass355.178345 Da
  • ChemSpider ID23327429
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(R)-(-)-Dysoxyline
(-)-Dysoxyline
(1R)-1-[2-(1,3-Benzodioxol-5-yl)ethyl]-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisochinolin [German] [ACD/IUPAC Name]
(1R)-1-[2-(1,3-Benzodioxol-5-yl)éthyl]-6,7-diméthoxy-2-méthyl-1,2,3,4-tétrahydroisoquinoléine [French] [ACD/IUPAC Name]
(1R)-1-[2-(1,3-Benzodioxol-5-yl)ethyl]-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinoline [ACD/IUPAC Name]
dysoxyline
Isoquinoline, 1-[2-(1,3-benzodioxol-5-yl)ethyl]-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-, (1R)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 475.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.9±3.0 kJ/mol
Flash Point: 136.0±25.9 °C
Index of Refraction: 1.570
Molar Refractivity: 100.0±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.21
ACD/LogD (pH 5.5): 1.01
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.51
ACD/LogD (pH 7.4): 2.72
ACD/BCF (pH 7.4): 45.74
ACD/KOC (pH 7.4): 331.80
Polar Surface Area: 40 Å2
Polarizability: 39.7±0.5 10-24cm3
Surface Tension: 42.0±3.0 dyne/cm
Molar Volume: 304.8±3.0 cm3

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