ChemSpider 2D Image | 3-[(4-{3-[Cyclohexyl(methyl)amino]-2-hydroxypropoxy}-3-methoxybenzyl)amino]-2,2-dimethyl-1-propanol | C23H40N2O4

3-[(4-{3-[Cyclohexyl(methyl)amino]-2-hydroxypropoxy}-3-methoxybenzyl)amino]-2,2-dimethyl-1-propanol

  • Molecular FormulaC23H40N2O4
  • Average mass408.575 Da
  • Monoisotopic mass408.298798 Da
  • ChemSpider ID23070529

More details:

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

1-Propanol, 3-[[[4-[3-(cyclohexylmethylamino)-2-hydroxypropoxy]-3-methoxyphenyl]methyl]amino]-2,2-dimethyl- [ACD/Index Name]
3-[(4-{3-[Cyclohexyl(methyl)amino]-2-hydroxypropoxy}-3-methoxybenzyl)amino]-2,2-dimethyl-1-propanol [ACD/IUPAC Name]
3-[(4-{3-[Cyclohexyl(methyl)amino]-2-hydroxypropoxy}-3-methoxybenzyl)amino]-2,2-dimethyl-1-propanol [German] [ACD/IUPAC Name]
3-[(4-{3-[Cyclohexyl(méthyl)amino]-2-hydroxypropoxy}-3-méthoxybenzyl)amino]-2,2-diméthyl-1-propanol [French] [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: 568.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 89.8±3.0 kJ/mol
Flash Point: 297.8±30.1 °C
Index of Refraction: 1.547
Molar Refractivity: 117.5±0.4 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 0
ACD/LogP: 2.92
ACD/LogD (pH 5.5): -1.47
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.19
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 74 Å2
Polarizability: 46.6±0.5 10-24cm3
Surface Tension: 47.5±5.0 dyne/cm
Molar Volume: 370.6±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement