Found 308 results

Search term: MF = 'C_{30}H_{44}N_{2}O_{3}'
ChemSpider 2D Image | 4-[(2,4-Dimethylphenoxy)methyl]-1-{3-[3-(1-piperidinyl)propoxy]benzyl}-4-azepanol | C30H44N2O3

4-[(2,4-Dimethylphenoxy)methyl]-1-{3-[3-(1-piperidinyl)propoxy]benzyl}-4-azepanol

  • Molecular FormulaC30H44N2O3
  • Average mass480.682 Da
  • Monoisotopic mass480.335205 Da
  • ChemSpider ID68719459

More details:

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

1H-Azepin-4-ol, 4-[(2,4-dimethylphenoxy)methyl]hexahydro-1-[[3-[3-(1-piperidinyl)propoxy]phenyl]methyl]- [ACD/Index Name]
4-[(2,4-Dimethylphenoxy)methyl]-1-{3-[3-(1-piperidinyl)propoxy]benzyl}-4-azepanol [German] [ACD/IUPAC Name]
4-[(2,4-Dimethylphenoxy)methyl]-1-{3-[3-(1-piperidinyl)propoxy]benzyl}-4-azepanol [ACD/IUPAC Name]
4-[(2,4-Diméthylphénoxy)méthyl]-1-{3-[3-(1-pipéridinyl)propoxy]benzyl}-4-azépanol [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: 624.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 97.2±3.0 kJ/mol
Flash Point: 331.5±31.5 °C
Index of Refraction: 1.561
Molar Refractivity: 143.1±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 5.45
ACD/LogD (pH 5.5): 1.13
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.34
ACD/LogD (pH 7.4): 2.26
ACD/BCF (pH 7.4): 6.04
ACD/KOC (pH 7.4): 18.26
Polar Surface Area: 45 Å2
Polarizability: 56.7±0.5 10-24cm3
Surface Tension: 44.6±3.0 dyne/cm
Molar Volume: 441.5±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement