ChemSpider 2D Image | N6-(Buta-2,3-Dienyl)adenine | C9H9N5

N6-(Buta-2,3-Dienyl)adenine

  • Molecular FormulaC9H9N5
  • Average mass187.201 Da
  • Monoisotopic mass187.085800 Da
  • ChemSpider ID22377326
  • Double-bond stereo - Double-bond stereo


More details:






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

(1E)-N-(1H-Purin-6-yl)-3-buten-1-imin [German] [ACD/IUPAC Name]
(1E)-N-(1H-Purin-6-yl)-3-buten-1-imine [ACD/IUPAC Name]
(1E)-N-(1H-Purin-6-yl)-3-butén-1-imine [French] [ACD/IUPAC Name]
7H-Purin-6-amine, N-[(1E)-3-buten-1-ylidene]- [ACD/Index Name]
N6-(Buta-2,3-Dienyl)adenine

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 464.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 69.9±3.0 kJ/mol
Flash Point: 234.9±28.7 °C
Index of Refraction: 1.679
Molar Refractivity: 54.0±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.16
ACD/LogD (pH 5.5): 0.40
ACD/BCF (pH 5.5): 1.18
ACD/KOC (pH 5.5): 38.44
ACD/LogD (pH 7.4): 0.43
ACD/BCF (pH 7.4): 1.25
ACD/KOC (pH 7.4): 40.76
Polar Surface Area: 67 Å2
Polarizability: 21.4±0.5 10-24cm3
Surface Tension: 51.6±7.0 dyne/cm
Molar Volume: 143.1±7.0 cm3

Click to predict properties on the Chemicalize site






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