ChemSpider 2D Image | (4-~2~H)Isoquinoline | C9H6DN

(4-2H)Isoquinoline

  • Molecular FormulaC9H6DN
  • Average mass130.165 Da
  • Monoisotopic mass130.064133 Da
  • ChemSpider ID10567550
  • Non-standard isotope - Non-standard isotope


More details:






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

(4-2H)Isochinolin [German] [ACD/IUPAC Name]
(4-2H)Isoquinoléine [French] [ACD/IUPAC Name]
(4-2H)Isoquinoline [ACD/IUPAC Name]
Isoquinoline-4-d [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 243.2±0.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.4 mmHg at 25°C
Enthalpy of Vaporization: 46.1±3.0 kJ/mol
Flash Point: 107.2±0.0 °C
Index of Refraction: 1.642
Molar Refractivity: 42.2±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 1.96
ACD/LogD (pH 5.5): 1.71
ACD/BCF (pH 5.5): 10.35
ACD/KOC (pH 5.5): 158.52
ACD/LogD (pH 7.4): 1.95
ACD/BCF (pH 7.4): 17.77
ACD/KOC (pH 7.4): 272.33
Polar Surface Area: 13 Å2
Polarizability: 16.7±0.5 10-24cm3
Surface Tension: 46.7±3.0 dyne/cm
Molar Volume: 116.8±3.0 cm3

Click to predict properties on the Chemicalize site






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