ChemSpider 2D Image | 4-Pentyn-1-yl 1,4,5,6-tetrahydro-5-pyrimidinecarboxylate | C10H14N2O2

4-Pentyn-1-yl 1,4,5,6-tetrahydro-5-pyrimidinecarboxylate

  • Molecular FormulaC10H14N2O2
  • Average mass194.230 Da
  • Monoisotopic mass194.105530 Da
  • ChemSpider ID25037663

More details:

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

1,4,5,6-Tétrahydro-5-pyrimidinecarboxylate de 4-pentyn-1-yle [French] [ACD/IUPAC Name]
4-Pentin-1-yl-1,4,5,6-tetrahydro-5-pyrimidincarboxylat [German] [ACD/IUPAC Name]
4-Pentyn-1-yl 1,4,5,6-tetrahydro-5-pyrimidinecarboxylate [ACD/IUPAC Name]
5-Pyrimidinecarboxylic acid, 1,4,5,6-tetrahydro-, 4-pentyn-1-yl ester [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 393.4±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.3±3.0 kJ/mol
Flash Point: 191.7±26.5 °C
Index of Refraction: 1.524
Molar Refractivity: 54.2±0.5 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 0.18
ACD/LogD (pH 5.5): -1.27
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.26
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 51 Å2
Polarizability: 21.5±0.5 10-24cm3
Surface Tension: 38.7±7.0 dyne/cm
Molar Volume: 177.4±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement