ChemSpider 2D Image | (1R)-1-Cyclohexyl-1,2,3,4-tetrahydroisoquinoline | C15H21N

(1R)-1-Cyclohexyl-1,2,3,4-tetrahydroisoquinoline

  • Molecular FormulaC15H21N
  • Average mass215.334 Da
  • Monoisotopic mass215.167404 Da
  • ChemSpider ID74998658

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(1R)-1-Cyclohexyl-1,2,3,4-tetrahydroisochinolin [German] [ACD/IUPAC Name]
(1R)-1-Cyclohexyl-1,2,3,4-tétrahydroisoquinoléine [French] [ACD/IUPAC Name]
(1R)-1-Cyclohexyl-1,2,3,4-tetrahydroisoquinoline [ACD/IUPAC Name]
Isoquinoline, 1-cyclohexyl-1,2,3,4-tetrahydro-, (1R)- [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: 338.5±11.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 58.2±3.0 kJ/mol
Flash Point: 164.8±14.7 °C
Index of Refraction: 1.548
Molar Refractivity: 67.5±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.96
ACD/LogD (pH 5.5): 1.13
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.95
ACD/LogD (pH 7.4): 1.99
ACD/BCF (pH 7.4): 5.68
ACD/KOC (pH 7.4): 28.47
Polar Surface Area: 12 Å2
Polarizability: 26.8±0.5 10-24cm3
Surface Tension: 39.6±3.0 dyne/cm
Molar Volume: 212.4±3.0 cm3

Click to predict properties on the Chemicalize site


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