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Search term: Nc1nc(Cl)cc(n1)-c1cc(OCCN2CCOCC2)c(Cl)cc1Cl (Found by conversion of search term to chemical structure (full match))

ChemSpider 2D Image | 4-chloro-6-[2,4-dichloro-5-(2-morpholin-4-ylethoxy)phenyl]pyrimidin-2-amine | C16H17Cl3N4O2

4-chloro-6-[2,4-dichloro-5-(2-morpholin-4-ylethoxy)phenyl]pyrimidin-2-amine

  • Molecular FormulaC16H17Cl3N4O2
  • Average mass403.691 Da
  • Monoisotopic mass402.041718 Da
  • ChemSpider ID25056789

More details:






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

2-Pyrimidinamine, 4-chloro-6-[2,4-dichloro-5-[2-(4-morpholinyl)ethoxy]phenyl]- [ACD/Index Name]
4-Chlor-6-{2,4-dichlor-5-[2-(4-morpholinyl)ethoxy]phenyl}-2-pyrimidinamin [German] [ACD/IUPAC Name]
4-chloro-6-[2,4-dichloro-5-(2-morpholin-4-ylethoxy)phenyl]pyrimidin-2-amine
4-Chloro-6-{2,4-dichloro-5-[2-(4-morpholinyl)ethoxy]phenyl}-2-pyrimidinamine [ACD/IUPAC Name]
4-Chloro-6-{2,4-dichloro-5-[2-(4-morpholinyl)éthoxy]phényl}-2-pyrimidinamine [French] [ACD/IUPAC Name]
C0P

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

Density: 1.4±0.1 g/cm3
Boiling Point: 591.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.2±3.0 kJ/mol
Flash Point: 311.4±32.9 °C
Index of Refraction: 1.612
Molar Refractivity: 98.9±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.68
ACD/LogD (pH 5.5): 2.49
ACD/BCF (pH 5.5): 29.71
ACD/KOC (pH 5.5): 236.12
ACD/LogD (pH 7.4): 3.24
ACD/BCF (pH 7.4): 169.65
ACD/KOC (pH 7.4): 1348.50
Polar Surface Area: 74 Å2
Polarizability: 39.2±0.5 10-24cm3
Surface Tension: 57.8±3.0 dyne/cm
Molar Volume: 284.4±3.0 cm3

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