ChemSpider 2D Image | N~4~,N~4~-Diethyl-N~1~-{6-[1-(2-methoxyphenyl)-3,4-dihydro-2(1H)-isoquinolinyl]-2-(2-methyl-2-propanyl)-4-pyrimidinyl}-2-methyl-1,4-benzenediamine | C35H43N5O

N4,N4-Diethyl-N1-{6-[1-(2-methoxyphenyl)-3,4-dihydro-2(1H)-isoquinolinyl]-2-(2-methyl-2-propanyl)-4-pyrimidinyl}-2-methyl-1,4-benzenediamine

  • Molecular FormulaC35H43N5O
  • Average mass549.749 Da
  • Monoisotopic mass549.346741 Da
  • ChemSpider ID121427635

More details:

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

1,4-Benzenediamine, N1-[6-[3,4-dihydro-1-(2-methoxyphenyl)-2(1H)-isoquinolinyl]-2-(1,1-dimethylethyl)-4-pyrimidinyl]-N4,N4-diethyl-2-methyl- [ACD/Index Name]
N4,N4-Diethyl-N1-{6-[1-(2-methoxyphenyl)-3,4-dihydro-2(1H)-isochinolinyl]-2-(2-methyl-2-propanyl)-4-pyrimidinyl}-2-methyl-1,4-benzoldiamin [German] [ACD/IUPAC Name]
N4,N4-Diéthyl-N1-{6-[1-(2-méthoxyphényl)-3,4-dihydro-2(1H)-isoquinoléinyl]-2-(2-méthyl-2-propanyl)-4-pyrimidinyl}-2-méthyl-1,4-benzènediamine [French] [ACD/IUPAC Name]
N4,N4-Diethyl-N1-{6-[1-(2-methoxyphenyl)-3,4-dihydro-2(1H)-isoquinolinyl]-2-(2-methyl-2-propanyl)-4-pyrimidinyl}-2-methyl-1,4-benzenediamine [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 691.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.3±3.0 kJ/mol
Flash Point: 371.7±31.5 °C
Index of Refraction: 1.616
Molar Refractivity: 169.9±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 7.88
ACD/LogD (pH 5.5): 5.53
ACD/BCF (pH 5.5): 2988.29
ACD/KOC (pH 5.5): 2738.27
ACD/LogD (pH 7.4): 7.46
ACD/BCF (pH 7.4): 249981.14
ACD/KOC (pH 7.4): 229066.22
Polar Surface Area: 54 Å2
Polarizability: 67.4±0.5 10-24cm3
Surface Tension: 49.9±3.0 dyne/cm
Molar Volume: 486.2±3.0 cm3

Click to predict properties on the Chemicalize site


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