ChemSpider 2D Image | 1-Methyl(1,3,3,4,4,5,8-~2~H_7_)-1,2,3,4-tetrahydro-6,7-isoquinolinediol | C10H6D7NO2

1-Methyl(1,3,3,4,4,5,8-2H7)-1,2,3,4-tetrahydro-6,7-isoquinolinediol

  • Molecular FormulaC10H6D7NO2
  • Average mass186.259 Da
  • Monoisotopic mass186.138565 Da
  • ChemSpider ID10132257

  • Non-standard isotope - Non-standard isotope

More details:

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

1-Methyl(1,3,3,4,4,5,8-2H7)-1,2,3,4-tetrahydro-6,7-isochinolindiol [German] [ACD/IUPAC Name]
1-Méthyl(1,3,3,4,4,5,8-2H7)-1,2,3,4-tétrahydro-6,7-isoquinoléinediol [French] [ACD/IUPAC Name]
1-Methyl(1,3,3,4,4,5,8-2H7)-1,2,3,4-tetrahydro-6,7-isoquinolinediol [ACD/IUPAC Name]
6,7-Isoquinoline-1,3,4,5,8-d5-diol, 1,2,3,4-tetrahydro-3,4-d2-1-methyl- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 362.6±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: 175.4±18.5 °C
Index of Refraction: 1.589
Molar Refractivity: 50.2±0.3 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 0.56
ACD/LogD (pH 5.5): -1.82
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.69
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.38
Polar Surface Area: 52 Å2
Polarizability: 19.9±0.5 10-24cm3
Surface Tension: 49.5±3.0 dyne/cm
Molar Volume: 149.1±3.0 cm3

Click to predict properties on the Chemicalize site


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