ChemSpider 2D Image | (4R)-2-Benzyl-8-bromo-6-methoxy-4-vinyl-1,2,3,4-tetrahydro-7-isoquinolinol | C19H20BrNO2

(4R)-2-Benzyl-8-bromo-6-methoxy-4-vinyl-1,2,3,4-tetrahydro-7-isoquinolinol

  • Molecular FormulaC19H20BrNO2
  • Average mass374.272 Da
  • Monoisotopic mass373.067749 Da
  • ChemSpider ID30651894

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(4R)-2-Benzyl-8-brom-6-methoxy-4-vinyl-1,2,3,4-tetrahydro-7-isochinolinol [German] [ACD/IUPAC Name]
(4R)-2-Benzyl-8-bromo-6-méthoxy-4-vinyl-1,2,3,4-tétrahydro-7-isoquinoléinol [French] [ACD/IUPAC Name]
(4R)-2-Benzyl-8-bromo-6-methoxy-4-vinyl-1,2,3,4-tetrahydro-7-isoquinolinol [ACD/IUPAC Name]
7-Isoquinolinol, 8-bromo-4-ethenyl-1,2,3,4-tetrahydro-6-methoxy-2-(phenylmethyl)-, (4R)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 435.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.8±3.0 kJ/mol
Flash Point: 217.1±28.7 °C
Index of Refraction: 1.663
Molar Refractivity: 98.2±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.30
ACD/LogD (pH 5.5): 3.96
ACD/BCF (pH 5.5): 375.25
ACD/KOC (pH 5.5): 1381.26
ACD/LogD (pH 7.4): 4.76
ACD/BCF (pH 7.4): 2349.50
ACD/KOC (pH 7.4): 8648.29
Polar Surface Area: 33 Å2
Polarizability: 38.9±0.5 10-24cm3
Surface Tension: 55.9±3.0 dyne/cm
Molar Volume: 265.1±3.0 cm3

Click to predict properties on the Chemicalize site


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