ChemSpider 2D Image | (4-{[4-(3-Chlorophenyl)-6-cyclopropyl-1,3,5-triazin-2-yl]amino}phenyl)acetic acid | C20H17ClN4O2

(4-{[4-(3-Chlorophenyl)-6-cyclopropyl-1,3,5-triazin-2-yl]amino}phenyl)acetic acid

  • Molecular FormulaC20H17ClN4O2
  • Average mass380.828 Da
  • Monoisotopic mass380.104004 Da
  • ChemSpider ID35034886

More details:

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

(4-{[4-(3-Chlorophenyl)-6-cyclopropyl-1,3,5-triazin-2-yl]amino}phenyl)acetic acid [ACD/IUPAC Name]
(4-{[4-(3-Chlorphenyl)-6-cyclopropyl-1,3,5-triazin-2-yl]amino}phenyl)essigsäure [German] [ACD/IUPAC Name]
Acide (4-{[4-(3-chlorophényl)-6-cyclopropyl-1,3,5-triazin-2-yl]amino}phényl)acétique [French] [ACD/IUPAC Name]
Benzeneacetic acid, 4-[[4-(3-chlorophenyl)-6-cyclopropyl-1,3,5-triazin-2-yl]amino]- [ACD/Index Name]
2O5

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

Density: 1.4±0.1 g/cm3
Boiling Point: 649.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 100.5±3.0 kJ/mol
Flash Point: 346.3±34.3 °C
Index of Refraction: 1.691
Molar Refractivity: 102.5±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.80
ACD/LogD (pH 5.5): 2.89
ACD/BCF (pH 5.5): 46.62
ACD/KOC (pH 5.5): 242.86
ACD/LogD (pH 7.4): 1.10
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.99
Polar Surface Area: 88 Å2
Polarizability: 40.6±0.5 10-24cm3
Surface Tension: 70.8±3.0 dyne/cm
Molar Volume: 267.8±3.0 cm3

Click to predict properties on the Chemicalize site


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