ChemSpider 2D Image | 3-{[4-Chloro-6-(ethylamino)-1,3,5-triazin-2-yl](methyl)amino}propanenitrile | C9H13ClN6

3-{[4-Chloro-6-(ethylamino)-1,3,5-triazin-2-yl](methyl)amino}propanenitrile

  • Molecular FormulaC9H13ClN6
  • Average mass240.693 Da
  • Monoisotopic mass240.089020 Da
  • ChemSpider ID36381128

More details:

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

3-{[4-Chlor-6-(ethylamino)-1,3,5-triazin-2-yl](methyl)amino}propannitril [German] [ACD/IUPAC Name]
3-{[4-Chloro-6-(ethylamino)-1,3,5-triazin-2-yl](methyl)amino}propanenitrile [ACD/IUPAC Name]
3-{[4-Chloro-6-(éthylamino)-1,3,5-triazin-2-yl](méthyl)amino}propanenitrile [French] [ACD/IUPAC Name]
Propanenitrile, 3-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]methylamino]- [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: 462.7±47.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.4±3.0 kJ/mol
Flash Point: 233.6±29.3 °C
Index of Refraction: 1.613
Molar Refractivity: 63.2±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.92
ACD/LogD (pH 5.5): 2.22
ACD/BCF (pH 5.5): 28.46
ACD/KOC (pH 5.5): 382.26
ACD/LogD (pH 7.4): 2.22
ACD/BCF (pH 7.4): 28.50
ACD/KOC (pH 7.4): 382.79
Polar Surface Area: 78 Å2
Polarizability: 25.0±0.5 10-24cm3
Surface Tension: 64.5±3.0 dyne/cm
Molar Volume: 181.4±3.0 cm3

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