ChemSpider 2D Image | Ethyl N-[(3-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-1-piperidinyl)carbonyl]-beta-alaninate | C22H35N3O5

Ethyl N-[(3-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-1-piperidinyl)carbonyl]-β-alaninate

  • Molecular FormulaC22H35N3O5
  • Average mass421.530 Da
  • Monoisotopic mass421.257660 Da
  • ChemSpider ID23058728

More details:

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

Ethyl N-[(3-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-1-piperidinyl)carbonyl]-β-alaninate [ACD/IUPAC Name]
Ethyl-N-[(3-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-1-piperidinyl)carbonyl]-β-alaninat [German] [ACD/IUPAC Name]
N-[(3-{[2-(3,4-Diméthoxyphényl)éthyl](méthyl)amino}-1-pipéridinyl)carbonyl]-β-alaninate d'éthyle [French] [ACD/IUPAC Name]
β-Alanine, N-[[3-[[2-(3,4-dimethoxyphenyl)ethyl]methylamino]-1-piperidinyl]carbonyl]-, ethyl ester [ACD/Index Name]
ethyl N-({3-[[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino]-1-piperidinyl}carbonyl)-β-alaninate

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

Density: 1.2±0.1 g/cm3
Boiling Point: 606.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.2±3.0 kJ/mol
Flash Point: 320.6±31.5 °C
Index of Refraction: 1.547
Molar Refractivity: 115.6±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 2.62
ACD/LogD (pH 5.5): 0.09
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.24
ACD/LogD (pH 7.4): 1.80
ACD/BCF (pH 7.4): 9.56
ACD/KOC (pH 7.4): 113.97
Polar Surface Area: 80 Å2
Polarizability: 45.8±0.5 10-24cm3
Surface Tension: 48.3±5.0 dyne/cm
Molar Volume: 364.9±5.0 cm3

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