ChemSpider 2D Image | (1S)-2-Benzyl-1-(4-bromophenyl)-2,3,4,9-tetrahydro-1H-beta-carboline | C24H21BrN2

(1S)-2-Benzyl-1-(4-bromophenyl)-2,3,4,9-tetrahydro-1H-β-carboline

  • Molecular FormulaC24H21BrN2
  • Average mass417.341 Da
  • Monoisotopic mass416.088806 Da
  • ChemSpider ID30658727

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(1S)-2-Benzyl-1-(4-bromophenyl)-2,3,4,9-tetrahydro-1H-β-carboline [ACD/IUPAC Name]
(1S)-2-Benzyl-1-(4-bromophényl)-2,3,4,9-tétrahydro-1H-β-carboline [French] [ACD/IUPAC Name]
(1S)-2-Benzyl-1-(4-bromphenyl)-2,3,4,9-tetrahydro-1H-β-carbolin [German] [ACD/IUPAC Name]
1H-Pyrido[3,4-b]indole, 1-(4-bromophenyl)-2,3,4,9-tetrahydro-2-(phenylmethyl)-, (1S)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 540.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.8±3.0 kJ/mol
Flash Point: 280.6±30.1 °C
Index of Refraction: 1.702
Molar Refractivity: 115.6±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 5.49
ACD/LogD (pH 5.5): 3.64
ACD/BCF (pH 5.5): 116.88
ACD/KOC (pH 5.5): 293.52
ACD/LogD (pH 7.4): 5.25
ACD/BCF (pH 7.4): 4749.61
ACD/KOC (pH 7.4): 11928.39
Polar Surface Area: 19 Å2
Polarizability: 45.8±0.5 10-24cm3
Surface Tension: 57.5±3.0 dyne/cm
Molar Volume: 298.4±3.0 cm3

Click to predict properties on the Chemicalize site


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