ChemSpider 2D Image | (1,4-~2~H_2_)-1,2,3,4-Tetrahydroisoquinoline | C9H9D2N

(1,4-2H2)-1,2,3,4-Tetrahydroisoquinoline

  • Molecular FormulaC9H9D2N
  • Average mass135.203 Da
  • Monoisotopic mass135.101700 Da
  • ChemSpider ID8877209
  • Non-standard isotope - Non-standard isotope


More details:






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

(1,4-2H2)-1,2,3,4-Tetrahydroisochinolin [German] [ACD/IUPAC Name]
(1,4-2H2)-1,2,3,4-Tétrahydroisoquinoléine [French] [ACD/IUPAC Name]
(1,4-2H2)-1,2,3,4-Tetrahydroisoquinoline [ACD/IUPAC Name]
Isoquinoline-1,4-d2, 1,2,3,4-tetrahydro- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 232.5±9.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.5 mmHg at 25°C
Enthalpy of Vaporization: 46.9±3.0 kJ/mol
Flash Point: 98.9±0.0 °C
Index of Refraction: 1.544
Molar Refractivity: 41.8±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 1.40
ACD/LogD (pH 5.5): -1.30
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.44
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.35
Polar Surface Area: 12 Å2
Polarizability: 16.6±0.5 10-24cm3
Surface Tension: 37.0±3.0 dyne/cm
Molar Volume: 132.3±3.0 cm3

Click to predict properties on the Chemicalize site






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