ChemSpider 2D Image | 3-[(4-Amino-6-chloro-1,3,5-triazin-2-yl)(ethyl)amino]-2-methylpropanenitrile | C9H13ClN6

3-[(4-Amino-6-chloro-1,3,5-triazin-2-yl)(ethyl)amino]-2-methylpropanenitrile

  • Molecular FormulaC9H13ClN6
  • Average mass240.693 Da
  • Monoisotopic mass240.089020 Da
  • ChemSpider ID36425742

More details:

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

3-[(4-Amino-6-chlor-1,3,5-triazin-2-yl)(ethyl)amino]-2-methylpropannitril [German] [ACD/IUPAC Name]
3-[(4-Amino-6-chloro-1,3,5-triazin-2-yl)(ethyl)amino]-2-methylpropanenitrile [ACD/IUPAC Name]
3-[(4-Amino-6-chloro-1,3,5-triazin-2-yl)(éthyl)amino]-2-méthylpropanenitrile [French] [ACD/IUPAC Name]
Propanenitrile, 3-[(4-amino-6-chloro-1,3,5-triazin-2-yl)ethylamino]-2-methyl- [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: 491.4±47.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.8±3.0 kJ/mol
Flash Point: 251.0±29.3 °C
Index of Refraction: 1.605
Molar Refractivity: 62.4±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -0.22
ACD/LogD (pH 5.5): 1.13
ACD/BCF (pH 5.5): 4.27
ACD/KOC (pH 5.5): 98.02
ACD/LogD (pH 7.4): 1.14
ACD/BCF (pH 7.4): 4.33
ACD/KOC (pH 7.4): 99.35
Polar Surface Area: 92 Å2
Polarizability: 24.7±0.5 10-24cm3
Surface Tension: 67.0±3.0 dyne/cm
Molar Volume: 181.1±3.0 cm3

Click to predict properties on the Chemicalize site


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