ChemSpider 2D Image | (2E)-3-[4-({6-[(4-Methoxyphenyl)amino]-7H-purin-2-yl}amino)-3,5-dimethylphenyl]acrylonitrile | C23H21N7O

(2E)-3-[4-({6-[(4-Methoxyphenyl)amino]-7H-purin-2-yl}amino)-3,5-dimethylphenyl]acrylonitrile

  • Molecular FormulaC23H21N7O
  • Average mass411.459 Da
  • Monoisotopic mass411.180756 Da
  • ChemSpider ID35035956

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-3-[4-({6-[(4-Methoxyphenyl)amino]-7H-purin-2-yl}amino)-3,5-dimethylphenyl]acrylonitril [German] [ACD/IUPAC Name]
(2E)-3-[4-({6-[(4-Methoxyphenyl)amino]-7H-purin-2-yl}amino)-3,5-dimethylphenyl]acrylonitrile [ACD/IUPAC Name]
(2E)-3-[4-({6-[(4-Méthoxyphényl)amino]-7H-purin-2-yl}amino)-3,5-diméthylphényl]acrylonitrile [French] [ACD/IUPAC Name]
(2e)-3-[4-({6-[(4-Methoxyphenyl)amino]-7h-Purin-2-Yl}amino)-3,5-Dimethylphenyl]prop-2-Enenitrile
2-Propenenitrile, 3-[4-[[6-[(4-methoxyphenyl)amino]-7H-purin-2-yl]amino]-3,5-dimethylphenyl]-, (2E)- [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: 747.3±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 108.9±3.0 kJ/mol
Flash Point: 405.8±35.7 °C
Index of Refraction: 1.747
Molar Refractivity: 123.7±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.37
ACD/LogD (pH 5.5): 3.67
ACD/BCF (pH 5.5): 355.96
ACD/KOC (pH 5.5): 2293.37
ACD/LogD (pH 7.4): 3.69
ACD/BCF (pH 7.4): 377.18
ACD/KOC (pH 7.4): 2430.13
Polar Surface Area: 112 Å2
Polarizability: 49.0±0.5 10-24cm3
Surface Tension: 70.7±3.0 dyne/cm
Molar Volume: 304.5±3.0 cm3

Click to predict properties on the Chemicalize site


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