ChemSpider 2D Image | N,N-Dibenzyl-6-(6',7'-dimethoxy-1'H-spiro[cyclohexane-1,4'-isoquinolin]-2'(3'H)-yl)-2-[4-(2-methyl-2-propanyl)phenyl]-4-pyrimidinamine | C44H50N4O2

N,N-Dibenzyl-6-(6',7'-dimethoxy-1'H-spiro[cyclohexane-1,4'-isoquinolin]-2'(3'H)-yl)-2-[4-(2-methyl-2-propanyl)phenyl]-4-pyrimidinamine

  • Molecular FormulaC44H50N4O2
  • Average mass666.893 Da
  • Monoisotopic mass666.393372 Da
  • ChemSpider ID121973625

More details:

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

4-Pyrimidinamine, 6-(6',7'-dimethoxyspiro[cyclohexane-1,4'(1'H)-isoquinolin]-2'(3'H)-yl)-2-[4-(1,1-dimethylethyl)phenyl]-N,N-bis(phenylmethyl)- [ACD/Index Name]
N,N-Dibenzyl-6-(6',7'-dimethoxy-1'H-spiro[cyclohexane-1,4'-isoquinolin]-2'(3'H)-yl)-2-[4-(2-methyl-2-propanyl)phenyl]-4-pyrimidinamin [German] [ACD/IUPAC Name]
N,N-Dibenzyl-6-(6',7'-dimethoxy-1'H-spiro[cyclohexane-1,4'-isoquinolin]-2'(3'H)-yl)-2-[4-(2-methyl-2-propanyl)phenyl]-4-pyrimidinamine [ACD/IUPAC Name]
N,N-Dibenzyl-6-(6',7'-diméthoxy-1'H-spiro[cyclohexane-1,4'-isoquinolin]-2'(3'H)-yl)-2-[4-(2-méthyl-2-propanyl)phényl]-4-pyrimidinamine [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 761.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 110.9±3.0 kJ/mol
Flash Point: 414.1±32.9 °C
Index of Refraction: 1.648
Molar Refractivity: 202.4±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 11.28
ACD/LogD (pH 5.5): 9.56
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 2237907.25
ACD/LogD (pH 7.4): 10.05
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 6905487.00
Polar Surface Area: 51 Å2
Polarizability: 80.2±0.5 10-24cm3
Surface Tension: 60.0±5.0 dyne/cm
Molar Volume: 556.1±5.0 cm3

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