ChemSpider 2D Image | N-[(5-Chloro-2-pyridinyl)methyl]-1-[3-(1H-imidazol-1-yl)phenyl]ethanamine | C17H17ClN4

N-[(5-Chloro-2-pyridinyl)methyl]-1-[3-(1H-imidazol-1-yl)phenyl]ethanamine

  • Molecular FormulaC17H17ClN4
  • Average mass312.797 Da
  • Monoisotopic mass312.114166 Da
  • ChemSpider ID35192262

More details:

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

2-Pyridinemethanamine, 5-chloro-N-[1-[3-(1H-imidazol-1-yl)phenyl]ethyl]- [ACD/Index Name]
N-[(5-Chlor-2-pyridinyl)methyl]-1-[3-(1H-imidazol-1-yl)phenyl]ethanamin [German] [ACD/IUPAC Name]
N-[(5-Chloro-2-pyridinyl)methyl]-1-[3-(1H-imidazol-1-yl)phenyl]ethanamine [ACD/IUPAC Name]
N-[(5-Chloro-2-pyridinyl)méthyl]-1-[3-(1H-imidazol-1-yl)phényl]éthanamine [French] [ACD/IUPAC Name]
[(5-CHLOROPYRIDIN-2-YL)METHYL]({1-[3-(1H-IMIDAZOL-1-YL)PHENYL]ETHYL})AMINE
[(5-CHLOROPYRIDIN-2-YL)METHYL]({1-[3-(IMIDAZOL-1-YL)PHENYL]ETHYL})AMINE

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

Density: 1.2±0.1 g/cm3
Boiling Point: 465.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 72.8±3.0 kJ/mol
Flash Point: 235.6±28.7 °C
Index of Refraction: 1.633
Molar Refractivity: 90.8±0.5 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.88
ACD/LogD (pH 5.5): 1.76
ACD/BCF (pH 5.5): 7.81
ACD/KOC (pH 5.5): 84.17
ACD/LogD (pH 7.4): 2.64
ACD/BCF (pH 7.4): 58.60
ACD/KOC (pH 7.4): 631.29
Polar Surface Area: 43 Å2
Polarizability: 36.0±0.5 10-24cm3
Surface Tension: 45.8±7.0 dyne/cm
Molar Volume: 254.1±7.0 cm3

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