ChemSpider 2D Image | 6-Chloro-N-[4-(4H-1,2,4-triazol-4-yl)butyl]-2-pyrazinamine | C10H13ClN6

6-Chloro-N-[4-(4H-1,2,4-triazol-4-yl)butyl]-2-pyrazinamine

  • Molecular FormulaC10H13ClN6
  • Average mass252.703 Da
  • Monoisotopic mass252.089020 Da
  • ChemSpider ID65109478

More details:

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

2-Pyrazinamine, 6-chloro-N-[4-(4H-1,2,4-triazol-4-yl)butyl]- [ACD/Index Name]
6-Chlor-N-[4-(4H-1,2,4-triazol-4-yl)butyl]-2-pyrazinamin [German] [ACD/IUPAC Name]
6-Chloro-N-[4-(4H-1,2,4-triazol-4-yl)butyl]-2-pyrazinamine [ACD/IUPAC Name]
6-Chloro-N-[4-(4H-1,2,4-triazol-4-yl)butyl]-2-pyrazinamine [French] [ACD/IUPAC 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: 480.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.5±3.0 kJ/mol
Flash Point: 244.5±31.5 °C
Index of Refraction: 1.670
Molar Refractivity: 67.4±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 0.68
ACD/LogD (pH 5.5): 1.37
ACD/BCF (pH 5.5): 6.51
ACD/KOC (pH 5.5): 132.91
ACD/LogD (pH 7.4): 1.38
ACD/BCF (pH 7.4): 6.53
ACD/KOC (pH 7.4): 133.38
Polar Surface Area: 69 Å2
Polarizability: 26.7±0.5 10-24cm3
Surface Tension: 55.8±7.0 dyne/cm
Molar Volume: 180.3±7.0 cm3

Click to predict properties on the Chemicalize site


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