ChemSpider 2D Image | 9-{3-[(4-Carboxyphenyl)amino]propyl}-9H-purin-6-olate | C15H14N5O3

9-{3-[(4-Carboxyphenyl)amino]propyl}-9H-purin-6-olate

  • Molecular FormulaC15H14N5O3
  • Average mass312.304 Da
  • Monoisotopic mass312.110199 Da
  • ChemSpider ID95748079

  • Charge - Charge

More details:

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

9-{3-[(4-Carboxyphenyl)amino]propyl}-9H-purin-6-olat [German] [ACD/IUPAC Name]
9-{3-[(4-Carboxyphenyl)amino]propyl}-9H-purin-6-olate [ACD/IUPAC Name]
9-{3-[(4-Carboxyphényl)amino]propyl}-9H-purin-6-olate [French] [ACD/IUPAC Name]
Benzoic acid, 4-[[3-(6-hydroxy-9H-purin-9-yl)propyl]amino]-, ion(1-) [ACD/Index Name]

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

Density:
Boiling Point: 649.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 100.6±3.0 kJ/mol
Flash Point: 346.5±34.3 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 0.66
ACD/LogD (pH 5.5): -1.72
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.13
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 116 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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