ChemSpider 2D Image | 3-(2-Pyrimidinyl)-2-propynenitrile | C7H3N3

3-(2-Pyrimidinyl)-2-propynenitrile

  • Molecular FormulaC7H3N3
  • Average mass129.119 Da
  • Monoisotopic mass129.032700 Da
  • ChemSpider ID42958169

More details:

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

2-Propynenitrile, 3-(2-pyrimidinyl)- [ACD/Index Name]
3-(2-Pyrimidinyl)-2-propinnitril [German] [ACD/IUPAC Name]
3-(2-Pyrimidinyl)-2-propynenitrile [ACD/IUPAC Name]
3-(2-Pyrimidinyl)-2-propynenitrile [French] [ACD/IUPAC Name]
1600239-81-3 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 290.3±23.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 53.0±3.0 kJ/mol
Flash Point: 107.3±7.8 °C
Index of Refraction: 1.584
Molar Refractivity: 34.2±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.07
ACD/LogD (pH 5.5): 0.49
ACD/BCF (pH 5.5): 1.39
ACD/KOC (pH 5.5): 44.17
ACD/LogD (pH 7.4): 0.49
ACD/BCF (pH 7.4): 1.39
ACD/KOC (pH 7.4): 44.17
Polar Surface Area: 50 Å2
Polarizability: 13.6±0.5 10-24cm3
Surface Tension: 75.9±5.0 dyne/cm
Molar Volume: 102.2±5.0 cm3

Click to predict properties on the Chemicalize site


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