ChemSpider 2D Image | 1-Methyl(9-~2~H)-9H-beta-carboline | C12H9DN2

1-Methyl(9-2H)-9H-β-carboline

  • Molecular FormulaC12H9DN2
  • Average mass183.227 Da
  • Monoisotopic mass183.090668 Da
  • ChemSpider ID95740993

  • Non-standard isotope - Non-standard isotope

More details:

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

1-Methyl(9-2H)-9H-β-carbolin [German] [ACD/IUPAC Name]
1-Methyl(9-2H)-9H-β-carboline [ACD/IUPAC Name]
1-Méthyl(9-2H)-9H-β-carboline [French] [ACD/IUPAC Name]
9H-Pyrido[3,4-b]indole-9-d, 1-methyl- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 386.9±22.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 61.1±3.0 kJ/mol
Flash Point: 176.2±13.6 °C
Index of Refraction: 1.750
Molar Refractivity: 59.3±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 3.26
ACD/LogD (pH 5.5): 0.70
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.56
ACD/LogD (pH 7.4): 1.88
ACD/BCF (pH 7.4): 8.03
ACD/KOC (pH 7.4): 69.32
Polar Surface Area: 29 Å2
Polarizability: 23.5±0.5 10-24cm3
Surface Tension: 60.8±3.0 dyne/cm
Molar Volume: 145.5±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement