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

1-[3-({3-[3-(1-Azocanyl)-2-hydroxypropoxy]-4-methoxybenzyl}amino)propyl]-2-pyrrolidinone

  • Molecular FormulaC25H41N3O4
  • Average mass447.611 Da
  • Monoisotopic mass447.309692 Da
  • ChemSpider ID22212685

More details:

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

1-[3-({3-[3-(1-Azocanyl)-2-hydroxypropoxy]-4-methoxybenzyl}amino)propyl]-2-pyrrolidinon [German] [ACD/IUPAC Name]
1-[3-({3-[3-(1-Azocanyl)-2-hydroxypropoxy]-4-methoxybenzyl}amino)propyl]-2-pyrrolidinone [ACD/IUPAC Name]
1-[3-({3-[3-(1-Azocanyl)-2-hydroxypropoxy]-4-méthoxybenzyl}amino)propyl]-2-pyrrolidinone [French] [ACD/IUPAC Name]
2-Pyrrolidinone, 1-[3-[[[3-[3-(hexahydro-1(2H)-azocinyl)-2-hydroxypropoxy]-4-methoxyphenyl]methyl]amino]propyl]- [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: 643.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.7±3.0 kJ/mol
Flash Point: 342.7±31.5 °C
Index of Refraction: 1.540
Molar Refractivity: 126.8±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 0
ACD/LogP: 3.25
ACD/LogD (pH 5.5): -1.09
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.34
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.23
Polar Surface Area: 74 Å2
Polarizability: 50.3±0.5 10-24cm3
Surface Tension: 44.5±3.0 dyne/cm
Molar Volume: 404.3±3.0 cm3

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