ChemSpider 2D Image | 1-Benzyl-2-methyl-1H-indole-3-carbonitrile | C17H14N2

1-Benzyl-2-methyl-1H-indole-3-carbonitrile

  • Molecular FormulaC17H14N2
  • Average mass246.307 Da
  • Monoisotopic mass246.115692 Da
  • ChemSpider ID21500691

More details:

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

1-Benzyl-2-methyl-1H-indol-3-carbonitril [German] [ACD/IUPAC Name]
1-Benzyl-2-methyl-1H-indole-3-carbonitrile [ACD/IUPAC Name]
1-Benzyl-2-méthyl-1H-indole-3-carbonitrile [French] [ACD/IUPAC Name]
1H-Indole-3-carbonitrile, 2-methyl-1-(phenylmethyl)- [ACD/Index Name]
1-benzyl-2-methylindole-3-carbonitrile
2-methyl-1-benzylindole-3-carbonitrile
639499-85-7 [RN]
MFCD03216632

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

Density: 1.1±0.1 g/cm3
Boiling Point: 460.2±33.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.1±3.0 kJ/mol
Flash Point: 232.1±25.4 °C
Index of Refraction: 1.611
Molar Refractivity: 78.9±0.5 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.14
ACD/LogD (pH 5.5): 4.91
ACD/BCF (pH 5.5): 3201.50
ACD/KOC (pH 5.5): 11238.97
ACD/LogD (pH 7.4): 4.91
ACD/BCF (pH 7.4): 3201.50
ACD/KOC (pH 7.4): 11238.97
Polar Surface Area: 29 Å2
Polarizability: 31.3±0.5 10-24cm3
Surface Tension: 42.3±7.0 dyne/cm
Molar Volume: 227.4±7.0 cm3

Click to predict properties on the Chemicalize site


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