ChemSpider 2D Image | 5-{[({1-[2-(4-Chlorophenyl)ethyl]-3-piperidinyl}methyl)(methyl)amino]methyl}-2-pyrimidinamine | C20H28ClN5

5-{[({1-[2-(4-Chlorophenyl)ethyl]-3-piperidinyl}methyl)(methyl)amino]methyl}-2-pyrimidinamine

  • Molecular FormulaC20H28ClN5
  • Average mass373.923 Da
  • Monoisotopic mass373.203339 Da
  • ChemSpider ID22412215

More details:






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

5-{[({1-[2-(4-Chlorophenyl)ethyl]-3-piperidinyl}methyl)(methyl)amino]methyl}-2-pyrimidinamine [ACD/IUPAC Name]
5-{[({1-[2-(4-Chlorophényl)éthyl]-3-pipéridinyl}méthyl)(méthyl)amino]méthyl}-2-pyrimidinamine [French] [ACD/IUPAC Name]
5-{[({1-[2-(4-Chlorphenyl)ethyl]-3-piperidinyl}methyl)(methyl)amino]methyl}-2-pyrimidinamin [German] [ACD/IUPAC Name]
5-Pyrimidinemethanamine, 2-amino-N-[[1-[2-(4-chlorophenyl)ethyl]-3-piperidinyl]methyl]-N-methyl- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 528.8±58.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.4±3.0 kJ/mol
Flash Point: 273.6±32.3 °C
Index of Refraction: 1.593
Molar Refractivity: 107.9±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.91
ACD/LogD (pH 5.5): -0.55
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.72
ACD/BCF (pH 7.4): 4.81
ACD/KOC (pH 7.4): 36.55
Polar Surface Area: 58 Å2
Polarizability: 42.8±0.5 10-24cm3
Surface Tension: 52.0±3.0 dyne/cm
Molar Volume: 318.5±3.0 cm3

Click to predict properties on the Chemicalize site






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