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Search term: ZVNKMLXKHZSKMN-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | N-{3-[2-(6-Amino-4-methyl-2-pyridinyl)ethyl]-5-fluorophenyl}-N,N'-dimethyl-1,2-ethanediamine | C18H25FN4

N-{3-[2-(6-Amino-4-methyl-2-pyridinyl)ethyl]-5-fluorophenyl}-N,N'-dimethyl-1,2-ethanediamine

  • Molecular FormulaC18H25FN4
  • Average mass316.416 Da
  • Monoisotopic mass316.206329 Da
  • ChemSpider ID58926748

More details:

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

1,2-Ethanediamine, N1-[3-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]-5-fluorophenyl]-N1,N2-dimethyl- [ACD/Index Name]
N-{3-[2-(6-Amino-4-methyl-2-pyridinyl)ethyl]-5-fluorophenyl}-N,N'-dimethyl-1,2-ethanediamine [ACD/IUPAC Name]
N-{3-[2-(6-Amino-4-méthyl-2-pyridinyl)éthyl]-5-fluorophényl}-N,N'-diméthyl-1,2-éthanediamine [French] [ACD/IUPAC Name]
N-{3-[2-(6-Amino-4-methyl-2-pyridinyl)ethyl]-5-fluorphenyl}-N,N'-dimethyl-1,2-ethandiamin [German] [ACD/IUPAC Name]
N1-(3-(2-(6-Amino-4-Methylpyridin-2-Yl)ethyl)-5-Fluorophenyl)-N1,N2-Dimethylethane-1,2-Diamine
S85

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

Density: 1.1±0.1 g/cm3
Boiling Point: 472.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.6±3.0 kJ/mol
Flash Point: 239.8±28.7 °C
Index of Refraction: 1.594
Molar Refractivity: 94.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.37
ACD/LogD (pH 5.5): -0.60
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.23
ACD/BCF (pH 7.4): 1.51
ACD/KOC (pH 7.4): 11.02
Polar Surface Area: 54 Å2
Polarizability: 37.5±0.5 10-24cm3
Surface Tension: 47.1±3.0 dyne/cm
Molar Volume: 278.8±3.0 cm3

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