ChemSpider 2D Image | 5-Chloro-N-[3-(1H-1,2,4-triazol-1-yl)-2-butanyl]-2-pyrimidinamine | C10H13ClN6

5-Chloro-N-[3-(1H-1,2,4-triazol-1-yl)-2-butanyl]-2-pyrimidinamine

  • Molecular FormulaC10H13ClN6
  • Average mass252.703 Da
  • Monoisotopic mass252.089020 Da
  • ChemSpider ID62256961

More details:

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

2-Pyrimidinamine, 5-chloro-N-[1-methyl-2-(1H-1,2,4-triazol-1-yl)propyl]- [ACD/Index Name]
5-Chlor-N-[3-(1H-1,2,4-triazol-1-yl)-2-butanyl]-2-pyrimidinamin [German] [ACD/IUPAC Name]
5-Chloro-N-[3-(1H-1,2,4-triazol-1-yl)-2-butanyl]-2-pyrimidinamine [ACD/IUPAC Name]
5-Chloro-N-[3-(1H-1,2,4-triazol-1-yl)-2-butanyl]-2-pyrimidinamine [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: 444.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.3±3.0 kJ/mol
Flash Point: 222.8±31.5 °C
Index of Refraction: 1.674
Molar Refractivity: 67.0±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.74
ACD/LogD (pH 5.5): 1.19
ACD/BCF (pH 5.5): 4.70
ACD/KOC (pH 5.5): 105.23
ACD/LogD (pH 7.4): 1.19
ACD/BCF (pH 7.4): 4.71
ACD/KOC (pH 7.4): 105.49
Polar Surface Area: 69 Å2
Polarizability: 26.6±0.5 10-24cm3
Surface Tension: 51.2±7.0 dyne/cm
Molar Volume: 178.5±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement