ChemSpider 2D Image | 2-Ethynyl-5-pyrimidinecarbonitrile | C7H3N3

2-Ethynyl-5-pyrimidinecarbonitrile

  • Molecular FormulaC7H3N3
  • Average mass129.119 Da
  • Monoisotopic mass129.032700 Da
  • ChemSpider ID61297471

More details:

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

2-Ethinyl-5-pyrimidincarbonitril [German] [ACD/IUPAC Name]
2-Ethynyl-5-pyrimidinecarbonitrile [ACD/IUPAC Name]
2-Éthynyl-5-pyrimidinecarbonitrile [French] [ACD/IUPAC Name]
5-Pyrimidinecarbonitrile, 2-ethynyl- [ACD/Index Name]
1211583-79-7 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 332.0±34.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 57.5±3.0 kJ/mol
Flash Point: 117.6±10.8 °C
Index of Refraction: 1.571
Molar Refractivity: 34.0±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.13
ACD/LogD (pH 5.5): -0.03
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 23.08
ACD/LogD (pH 7.4): -0.03
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 23.08
Polar Surface Area: 50 Å2
Polarizability: 13.5±0.5 10-24cm3
Surface Tension: 72.8±5.0 dyne/cm
Molar Volume: 103.3±5.0 cm3

Click to predict properties on the Chemicalize site


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