ChemSpider 2D Image | (2S)-[3-(Cyanomethyl)-4-methoxy-1H-indol-7-yl](1H-indol-3-yl)acetonitrile | C21H16N4O

(2S)-[3-(Cyanomethyl)-4-methoxy-1H-indol-7-yl](1H-indol-3-yl)acetonitrile

  • Molecular FormulaC21H16N4O
  • Average mass340.378 Da
  • Monoisotopic mass340.132416 Da
  • ChemSpider ID28521790

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-[3-(Cyanmethyl)-4-methoxy-1H-indol-7-yl](1H-indol-3-yl)acetonitril [German] [ACD/IUPAC Name]
(2S)-[3-(Cyanomethyl)-4-methoxy-1H-indol-7-yl](1H-indol-3-yl)acetonitrile [ACD/IUPAC Name]
(2S)-[3-(Cyanométhyl)-4-méthoxy-1H-indol-7-yl](1H-indol-3-yl)acétonitrile [French] [ACD/IUPAC Name]
1H-Indole-3,7-diacetonitrile, α7-1H-indol-3-yl-4-methoxy-, (α7S)- [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: 663.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.6±3.0 kJ/mol
Flash Point: 355.2±31.5 °C
Index of Refraction: 1.723
Molar Refractivity: 100.8±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.29
ACD/LogD (pH 5.5): 3.08
ACD/BCF (pH 5.5): 129.93
ACD/KOC (pH 5.5): 1133.95
ACD/LogD (pH 7.4): 3.08
ACD/BCF (pH 7.4): 129.93
ACD/KOC (pH 7.4): 1133.95
Polar Surface Area: 88 Å2
Polarizability: 40.0±0.5 10-24cm3
Surface Tension: 68.9±3.0 dyne/cm
Molar Volume: 254.6±3.0 cm3

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