ChemSpider 2D Image | N-[(2-Bromo-4-pyridinyl)methyl]alaninamide | C9H12BrN3O

N-[(2-Bromo-4-pyridinyl)methyl]alaninamide

  • Molecular FormulaC9H12BrN3O
  • Average mass258.115 Da
  • Monoisotopic mass257.016357 Da
  • ChemSpider ID60658826

More details:

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

N-[(2-Brom-4-pyridinyl)methyl]alaninamid [German] [ACD/IUPAC Name]
N-[(2-Bromo-4-pyridinyl)methyl]alaninamide [ACD/IUPAC Name]
N-[(2-Bromo-4-pyridinyl)méthyl]alaninamide [French] [ACD/IUPAC Name]
Propanamide, 2-amino-N-[(2-bromo-4-pyridinyl)methyl]- [ACD/Index Name]
1354020-57-7 [RN]
1822575-73-4 [RN]
MFCD21097309
MFCD24529889

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

Density: 1.5±0.1 g/cm3
Boiling Point: 475.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.9±3.0 kJ/mol
Flash Point: 241.2±28.7 °C
Index of Refraction: 1.578
Molar Refractivity: 58.0±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -0.30
ACD/LogD (pH 5.5): -2.27
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.60
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 6.96
Polar Surface Area: 68 Å2
Polarizability: 23.0±0.5 10-24cm3
Surface Tension: 51.3±3.0 dyne/cm
Molar Volume: 174.7±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement