ChemSpider 2D Image | (1S)-7,8-Dimethoxy-1-methyl-1,2,3,4-tetrahydro-6-isoquinolinol | C12H17NO3

(1S)-7,8-Dimethoxy-1-methyl-1,2,3,4-tetrahydro-6-isoquinolinol

  • Molecular FormulaC12H17NO3
  • Average mass223.268 Da
  • Monoisotopic mass223.120850 Da
  • ChemSpider ID75223918

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(1S)-7,8-Dimethoxy-1-methyl-1,2,3,4-tetrahydro-6-isochinolinol [German] [ACD/IUPAC Name]
(1S)-7,8-Diméthoxy-1-méthyl-1,2,3,4-tétrahydro-6-isoquinoléinol [French] [ACD/IUPAC Name]
(1S)-7,8-Dimethoxy-1-methyl-1,2,3,4-tetrahydro-6-isoquinolinol [ACD/IUPAC Name]
6-Isoquinolinol, 1,2,3,4-tetrahydro-7,8-dimethoxy-1-methyl-, (1S)- [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: 363.2±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 63.3±3.0 kJ/mol
Flash Point: 173.5±27.9 °C
Index of Refraction: 1.533
Molar Refractivity: 61.7±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.81
ACD/LogD (pH 5.5): -1.63
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.09
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.40
Polar Surface Area: 51 Å2
Polarizability: 24.5±0.5 10-24cm3
Surface Tension: 38.2±3.0 dyne/cm
Molar Volume: 198.7±3.0 cm3

Click to predict properties on the Chemicalize site


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