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

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

  • Molecular FormulaC35H43N5O
  • Average mass549.749 Da
  • Monoisotopic mass549.346741 Da
  • ChemSpider ID121424000

More details:

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

1,4-Benzenediamine, N1-[6-[3,4-dihydro-1-(2-phenylethyl)-2(1H)-isoquinolinyl]-2-(2-methoxyethyl)-4-pyrimidinyl]-N4,N4-diethyl-2-methyl- [ACD/Index Name]
N4,N4-Diethyl-N1-{2-(2-methoxyethyl)-6-[1-(2-phenylethyl)-3,4-dihydro-2(1H)-isochinolinyl]-4-pyrimidinyl}-2-methyl-1,4-benzoldiamin [German] [ACD/IUPAC Name]
N4,N4-Diéthyl-N1-{2-(2-méthoxyéthyl)-6-[1-(2-phényléthyl)-3,4-dihydro-2(1H)-isoquinoléinyl]-4-pyrimidinyl}-2-méthyl-1,4-benzènediamine [French] [ACD/IUPAC Name]
N4,N4-Diethyl-N1-{2-(2-methoxyethyl)-6-[1-(2-phenylethyl)-3,4-dihydro-2(1H)-isoquinolinyl]-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: 709.9±60.0 °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: 383.1±32.9 °C
Index of Refraction: 1.619
Molar Refractivity: 170.1±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 7.89
ACD/LogD (pH 5.5): 5.85
ACD/BCF (pH 5.5): 6225.07
ACD/KOC (pH 5.5): 5734.02
ACD/LogD (pH 7.4): 7.49
ACD/BCF (pH 7.4): 269561.22
ACD/KOC (pH 7.4): 248297.48
Polar Surface Area: 54 Å2
Polarizability: 67.4±0.5 10-24cm3
Surface Tension: 51.2±3.0 dyne/cm
Molar Volume: 485.2±3.0 cm3

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