ChemSpider 2D Image | 3-(7-Isoquinolinyl)-2-propyn-1-ol | C12H9NO

3-(7-Isoquinolinyl)-2-propyn-1-ol

  • Molecular FormulaC12H9NO
  • Average mass183.206 Da
  • Monoisotopic mass183.068420 Da
  • ChemSpider ID35035543

More details:

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

2-Propyn-1-ol, 3-(7-isoquinolinyl)- [ACD/Index Name]
3-(7-Isochinolinyl)-2-propin-1-ol [German] [ACD/IUPAC Name]
3-(7-Isoquinoléinyl)-2-propyn-1-ol [French] [ACD/IUPAC Name]
3-(7-Isoquinolinyl)-2-propyn-1-ol [ACD/IUPAC Name]
3-(Isoquinolin-7-Yl)prop-2-Yn-1-Ol
5QM

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

Density: 1.2±0.1 g/cm3
Boiling Point: 385.9±22.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 66.9±3.0 kJ/mol
Flash Point: 187.2±22.3 °C
Index of Refraction: 1.679
Molar Refractivity: 55.5±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.06
ACD/LogD (pH 5.5): 1.91
ACD/BCF (pH 5.5): 15.78
ACD/KOC (pH 5.5): 234.04
ACD/LogD (pH 7.4): 2.02
ACD/BCF (pH 7.4): 20.06
ACD/KOC (pH 7.4): 297.47
Polar Surface Area: 33 Å2
Polarizability: 22.0±0.5 10-24cm3
Surface Tension: 65.5±5.0 dyne/cm
Molar Volume: 147.2±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement