ChemSpider 2D Image | 3-[2-(4-Amino-1H-pyrazol-1-yl)ethyl]-5-iodo-4(3H)-pyrimidinone | C9H10IN5O

3-[2-(4-Amino-1H-pyrazol-1-yl)ethyl]-5-iodo-4(3H)-pyrimidinone

  • Molecular FormulaC9H10IN5O
  • Average mass331.113 Da
  • Monoisotopic mass330.992981 Da
  • ChemSpider ID49376939

More details:

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

3-[2-(4-Amino-1H-pyrazol-1-yl)ethyl]-5-iod-4(3H)-pyrimidinon [German] [ACD/IUPAC Name]
3-[2-(4-Amino-1H-pyrazol-1-yl)ethyl]-5-iodo-4(3H)-pyrimidinone [ACD/IUPAC Name]
3-[2-(4-Amino-1H-pyrazol-1-yl)éthyl]-5-iodo-4(3H)-pyrimidinone [French] [ACD/IUPAC Name]
4(3H)-Pyrimidinone, 3-[2-(4-amino-1H-pyrazol-1-yl)ethyl]-5-iodo- [ACD/Index Name]

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

Density: 2.0±0.1 g/cm3
Boiling Point: 467.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.0±3.0 kJ/mol
Flash Point: 236.6±31.5 °C
Index of Refraction: 1.778
Molar Refractivity: 68.4±0.5 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -0.63
ACD/LogD (pH 5.5): -0.19
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 18.58
ACD/LogD (pH 7.4): -0.17
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 19.19
Polar Surface Area: 77 Å2
Polarizability: 27.1±0.5 10-24cm3
Surface Tension: 72.1±7.0 dyne/cm
Molar Volume: 163.2±7.0 cm3

Click to predict properties on the Chemicalize site


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