ChemSpider 2D Image | (1R,4S)-1,2-Dimethyl-1,2,3,4-tetrahydro-4,6,7-isoquinolinetriol | C11H15NO3

(1R,4S)-1,2-Dimethyl-1,2,3,4-tetrahydro-4,6,7-isoquinolinetriol

  • Molecular FormulaC11H15NO3
  • Average mass209.242 Da
  • Monoisotopic mass209.105194 Da
  • ChemSpider ID29782287

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1R,4S)-1,2-Dimethyl-1,2,3,4-tetrahydro-4,6,7-isochinolintriol [German] [ACD/IUPAC Name]
(1R,4S)-1,2-Diméthyl-1,2,3,4-tétrahydro-4,6,7-isoquinoléinetriol [French] [ACD/IUPAC Name]
(1R,4S)-1,2-Dimethyl-1,2,3,4-tetrahydro-4,6,7-isoquinolinetriol [ACD/IUPAC Name]
4,6,7-Isoquinolinetriol, 1,2,3,4-tetrahydro-1,2-dimethyl-, (1R,4S)- [ACD/Index Name]
(1R,4S)-1,2-dimethyl-1,2,3,4-tetrahydroisoquinoline-4,6,7-triol
714905-74-5 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 395.9±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.1±3.0 kJ/mol
Flash Point: 227.0±26.5 °C
Index of Refraction: 1.622
Molar Refractivity: 56.8±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: -0.03
ACD/LogD (pH 5.5): -1.79
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.33
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 12.31
Polar Surface Area: 64 Å2
Polarizability: 22.5±0.5 10-24cm3
Surface Tension: 56.8±3.0 dyne/cm
Molar Volume: 161.2±3.0 cm3

Click to predict properties on the Chemicalize site


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