ChemSpider 2D Image | 3-(6-aminopurin-9-yl)prop-2-enal | C8H7N5O

3-(6-aminopurin-9-yl)prop-2-enal

  • Molecular FormulaC8H7N5O
  • Average mass189.174 Da
  • Monoisotopic mass189.065063 Da
  • ChemSpider ID23353558

More details:

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

3-(6-Amino-9H-purin-9-yl)-2-propenal
79251-81-3 [RN]
90029-73-5 [RN]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 486.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.3±3.0 kJ/mol
Flash Point: 248.2±31.5 °C
Index of Refraction: 1.749
Molar Refractivity: 50.2±0.5 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.95
ACD/LogD (pH 5.5): -0.23
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 17.67
ACD/LogD (pH 7.4): -0.23
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 17.82
Polar Surface Area: 87 Å2
Polarizability: 19.9±0.5 10-24cm3
Surface Tension: 72.5±7.0 dyne/cm
Molar Volume: 123.3±7.0 cm3

Click to predict properties on the Chemicalize site


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