ChemSpider 2D Image | N-{3-[2-(3-Amino-1-pyrrolidinyl)ethoxy]phenyl}-4,6-bis(4-chlorophenyl)-2-pyrimidinamine | C28H27Cl2N5O

N-{3-[2-(3-Amino-1-pyrrolidinyl)ethoxy]phenyl}-4,6-bis(4-chlorophenyl)-2-pyrimidinamine

  • Molecular FormulaC28H27Cl2N5O
  • Average mass520.453 Da
  • Monoisotopic mass519.159241 Da
  • ChemSpider ID58989932

More details:

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

2-Pyrimidinamine, N-[3-[2-(3-amino-1-pyrrolidinyl)ethoxy]phenyl]-4,6-bis(4-chlorophenyl)- [ACD/Index Name]
N-{3-[2-(3-Amino-1-pyrrolidinyl)ethoxy]phenyl}-4,6-bis(4-chlorophenyl)-2-pyrimidinamine [ACD/IUPAC Name]
N-{3-[2-(3-Amino-1-pyrrolidinyl)éthoxy]phényl}-4,6-bis(4-chlorophényl)-2-pyrimidinamine [French] [ACD/IUPAC Name]
N-{3-[2-(3-Amino-1-pyrrolidinyl)ethoxy]phenyl}-4,6-bis(4-chlorphenyl)-2-pyrimidinamin [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 709.5±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 103.8±3.0 kJ/mol
Flash Point: 382.9±35.7 °C
Index of Refraction: 1.648
Molar Refractivity: 145.7±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 6.35
ACD/LogD (pH 5.5): 2.15
ACD/BCF (pH 5.5): 3.48
ACD/KOC (pH 5.5): 8.01
ACD/LogD (pH 7.4): 3.47
ACD/BCF (pH 7.4): 72.57
ACD/KOC (pH 7.4): 166.98
Polar Surface Area: 76 Å2
Polarizability: 57.8±0.5 10-24cm3
Surface Tension: 56.8±3.0 dyne/cm
Molar Volume: 400.3±3.0 cm3

Click to predict properties on the Chemicalize site


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