ChemSpider 2D Image | 2-[(1-~2~H_1_)Butyl]-1,2,3,4-tetrahydroisoquinoline | C13H18DN

2-[(1-2H1)Butyl]-1,2,3,4-tetrahydroisoquinoline

  • Molecular FormulaC13H18DN
  • Average mass190.303 Da
  • Monoisotopic mass190.158020 Da
  • ChemSpider ID9507915

  • Non-standard isotope - Non-standard isotope

More details:

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

2-[(1-2H1)Butyl]-1,2,3,4-tetrahydroisochinolin [German] [ACD/IUPAC Name]
2-[(1-2H1)Butyl]-1,2,3,4-tétrahydroisoquinoléine [French] [ACD/IUPAC Name]
2-[(1-2H1)Butyl]-1,2,3,4-tetrahydroisoquinoline [ACD/IUPAC Name]
Isoquinoline, 2-(butyl-1-d)-1,2,3,4-tetrahydro- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 273.1±9.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 51.1±3.0 kJ/mol
Flash Point: 108.8±15.6 °C
Index of Refraction: 1.524
Molar Refractivity: 60.6±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.66
ACD/LogD (pH 5.5): 0.89
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.40
ACD/LogD (pH 7.4): 2.32
ACD/BCF (pH 7.4): 15.13
ACD/KOC (pH 7.4): 92.22
Polar Surface Area: 3 Å2
Polarizability: 24.0±0.5 10-24cm3
Surface Tension: 34.4±3.0 dyne/cm
Molar Volume: 197.9±3.0 cm3

Click to predict properties on the Chemicalize site


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