ChemSpider 2D Image | 2-(4-Chloro-1,3-dimethyl-1H-pyrazol-5-yl)-1-(1H-1,2,3-triazol-4-yl)ethanamine | C9H13ClN6

2-(4-Chloro-1,3-dimethyl-1H-pyrazol-5-yl)-1-(1H-1,2,3-triazol-4-yl)ethanamine

  • Molecular FormulaC9H13ClN6
  • Average mass240.693 Da
  • Monoisotopic mass240.089020 Da
  • ChemSpider ID35915775

More details:

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

1H-1,2,3-Triazole-4-methanamine, α-[(4-chloro-1,3-dimethyl-1H-pyrazol-5-yl)methyl]- [ACD/Index Name]
2-(4-Chlor-1,3-dimethyl-1H-pyrazol-5-yl)-1-(1H-1,2,3-triazol-4-yl)ethanamin [German] [ACD/IUPAC Name]
2-(4-Chloro-1,3-dimethyl-1H-pyrazol-5-yl)-1-(1H-1,2,3-triazol-4-yl)ethanamine [ACD/IUPAC Name]
2-(4-Chloro-1,3-diméthyl-1H-pyrazol-5-yl)-1-(1H-1,2,3-triazol-4-yl)éthanamine [French] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 429.2±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.4±3.0 kJ/mol
Flash Point: 213.4±27.3 °C
Index of Refraction: 1.723
Molar Refractivity: 61.2±0.5 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.49
ACD/LogD (pH 5.5): -0.51
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.69
ACD/LogD (pH 7.4): 0.34
ACD/BCF (pH 7.4): 1.01
ACD/KOC (pH 7.4): 33.04
Polar Surface Area: 85 Å2
Polarizability: 24.3±0.5 10-24cm3
Surface Tension: 58.0±7.0 dyne/cm
Molar Volume: 154.5±7.0 cm3

Click to predict properties on the Chemicalize site


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