ChemSpider 2D Image | 3-Butyl-2H-beta-carboline | C15H16N2

3-Butyl-2H-β-carboline

  • Molecular FormulaC15H16N2
  • Average mass224.301 Da
  • Monoisotopic mass224.131348 Da
  • ChemSpider ID23159299

More details:

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

2H-Pyrido[3,4-b]indole, 3-butyl- [ACD/Index Name]
3-Butyl-2H-β-carbolin [German] [ACD/IUPAC Name]
3-Butyl-2H-β-carboline [ACD/IUPAC Name]
3-Butyl-2H-β-carboline [French] [ACD/IUPAC Name]
10,13-Dimethyl-hexadecahydro-cyclopenta[a]phenanthrene-3,17-diol

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

Density: 1.1±0.1 g/cm3
Boiling Point: 451.3±41.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.0±3.0 kJ/mol
Flash Point: 226.8±27.6 °C
Index of Refraction: 1.628
Molar Refractivity: 69.9±0.5 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.90
ACD/LogD (pH 5.5): -0.09
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.62
ACD/LogD (pH 7.4): -0.04
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.90
Polar Surface Area: 24 Å2
Polarizability: 27.7±0.5 10-24cm3
Surface Tension: 41.8±7.0 dyne/cm
Molar Volume: 197.1±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement