ChemSpider 2D Image | 3-Bromo-N-[2-(7H-purin-6-ylamino)ethyl]benzamide | C14H13BrN6O

3-Bromo-N-[2-(7H-purin-6-ylamino)ethyl]benzamide

  • Molecular FormulaC14H13BrN6O
  • Average mass361.197 Da
  • Monoisotopic mass360.033417 Da
  • ChemSpider ID30733927

More details:

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

3-Brom-N-[2-(7H-purin-6-ylamino)ethyl]benzamid [German] [ACD/IUPAC Name]
3-Bromo-N-[2-(7H-purin-6-ylamino)ethyl]benzamide [ACD/IUPAC Name]
3-Bromo-N-[2-(7H-purin-6-ylamino)éthyl]benzamide [French] [ACD/IUPAC Name]
Benzamide, 3-bromo-N-[2-(7H-purin-6-ylamino)ethyl]- [ACD/Index Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 713.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.3±3.0 kJ/mol
Flash Point: 385.2±32.9 °C
Index of Refraction: 1.738
Molar Refractivity: 87.9±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.17
ACD/LogD (pH 5.5): 2.30
ACD/BCF (pH 5.5): 33.03
ACD/KOC (pH 5.5): 423.51
ACD/LogD (pH 7.4): 2.31
ACD/BCF (pH 7.4): 33.51
ACD/KOC (pH 7.4): 429.75
Polar Surface Area: 96 Å2
Polarizability: 34.9±0.5 10-24cm3
Surface Tension: 78.8±3.0 dyne/cm
Molar Volume: 218.4±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement