ChemSpider 2D Image | 1-[2-({3-[3-(1-Azocanyl)-2-hydroxypropoxy]-4-methoxybenzyl}amino)ethyl]-2-piperidinone | C25H41N3O4

1-[2-({3-[3-(1-Azocanyl)-2-hydroxypropoxy]-4-methoxybenzyl}amino)ethyl]-2-piperidinone

  • Molecular FormulaC25H41N3O4
  • Average mass447.611 Da
  • Monoisotopic mass447.309692 Da
  • ChemSpider ID22220753

More details:

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

1-[2-({3-[3-(1-Azocanyl)-2-hydroxypropoxy]-4-methoxybenzyl}amino)ethyl]-2-piperidinon [German] [ACD/IUPAC Name]
1-[2-({3-[3-(1-Azocanyl)-2-hydroxypropoxy]-4-methoxybenzyl}amino)ethyl]-2-piperidinone [ACD/IUPAC Name]
1-[2-({3-[3-(1-Azocanyl)-2-hydroxypropoxy]-4-méthoxybenzyl}amino)éthyl]-2-pipéridinone [French] [ACD/IUPAC Name]
2-Piperidinone, 1-[2-[[[3-[3-(hexahydro-1(2H)-azocinyl)-2-hydroxypropoxy]-4-methoxyphenyl]methyl]amino]ethyl]- [ACD/Index 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: 644.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 100.0±3.0 kJ/mol
Flash Point: 343.7±31.5 °C
Index of Refraction: 1.538
Molar Refractivity: 126.8±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 3.69
ACD/LogD (pH 5.5): -0.76
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.42
ACD/BCF (pH 7.4): 2.52
ACD/KOC (pH 7.4): 19.71
Polar Surface Area: 74 Å2
Polarizability: 50.3±0.5 10-24cm3
Surface Tension: 44.0±3.0 dyne/cm
Molar Volume: 405.5±3.0 cm3

Click to predict properties on the Chemicalize site


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