ChemSpider 2D Image | (2Z)-2-(4-Amino-6-anilino-1,3,5-triazin-2-yl)-3-[1-(2-cyanoethyl)-1H-indol-3-yl]acrylonitrile | C23H18N8

(2Z)-2-(4-Amino-6-anilino-1,3,5-triazin-2-yl)-3-[1-(2-cyanoethyl)-1H-indol-3-yl]acrylonitrile

  • Molecular FormulaC23H18N8
  • Average mass406.443 Da
  • Monoisotopic mass406.165436 Da
  • ChemSpider ID30986438

  • Double-bond stereo - Double-bond stereo

More details:

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

(2Z)-2-(4-Amino-6-anilino-1,3,5-triazin-2-yl)-3-[1-(2-cyanethyl)-1H-indol-3-yl]acrylonitril [German] [ACD/IUPAC Name]
(2Z)-2-(4-Amino-6-anilino-1,3,5-triazin-2-yl)-3-[1-(2-cyanoethyl)-1H-indol-3-yl]acrylonitrile [ACD/IUPAC Name]
(2Z)-2-(4-Amino-6-anilino-1,3,5-triazin-2-yl)-3-[1-(2-cyanoéthyl)-1H-indol-3-yl]acrylonitrile [French] [ACD/IUPAC Name]
1H-Indole-1-propanenitrile, 3-[(Z)-2-[4-amino-6-(phenylamino)-1,3,5-triazin-2-yl]-2-cyanoethenyl]- [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: 766.3±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 111.6±3.0 kJ/mol
Flash Point: 417.3±35.7 °C
Index of Refraction: 1.708
Molar Refractivity: 120.3±0.5 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 2.23
ACD/LogD (pH 5.5): 2.93
ACD/BCF (pH 5.5): 98.55
ACD/KOC (pH 5.5): 924.12
ACD/LogD (pH 7.4): 2.94
ACD/BCF (pH 7.4): 100.88
ACD/KOC (pH 7.4): 946.01
Polar Surface Area: 129 Å2
Polarizability: 47.7±0.5 10-24cm3
Surface Tension: 59.8±7.0 dyne/cm
Molar Volume: 308.5±7.0 cm3

Click to predict properties on the Chemicalize site


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