ChemSpider 2D Image | 4-[({3-[2-Hydroxy-3-(4-methyl-1,4-diazepan-1-yl)propoxy]-4-methoxybenzyl}amino)methyl]-1,6-heptadien-4-ol | C25H41N3O4

4-[({3-[2-Hydroxy-3-(4-methyl-1,4-diazepan-1-yl)propoxy]-4-methoxybenzyl}amino)methyl]-1,6-heptadien-4-ol

  • Molecular FormulaC25H41N3O4
  • Average mass447.611 Da
  • Monoisotopic mass447.309692 Da
  • ChemSpider ID23050940

More details:

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

1H-1,4-Diazepine-1-ethanol, hexahydro-α-[[5-[[[2-hydroxy-2-(2-propen-1-yl)-4-penten-1-yl]amino]methyl]-2-methoxyphenoxy]methyl]-4-methyl- [ACD/Index Name]
4-[({3-[2-Hydroxy-3-(4-methyl-1,4-diazepan-1-yl)propoxy]-4-methoxybenzyl}amino)methyl]-1,6-heptadien-4-ol [ACD/IUPAC Name]
4-[({3-[2-Hydroxy-3-(4-methyl-1,4-diazepan-1-yl)propoxy]-4-methoxybenzyl}amino)methyl]-1,6-heptadien-4-ol [German] [ACD/IUPAC Name]
4-[({3-[2-Hydroxy-3-(4-méthyl-1,4-diazépan-1-yl)propoxy]-4-méthoxybenzyl}amino)méthyl]-1,6-heptadién-4-ol [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: 592.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.0±3.0 kJ/mol
Flash Point: 312.4±30.1 °C
Index of Refraction: 1.537
Molar Refractivity: 129.8±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 0
ACD/LogP: 3.24
ACD/LogD (pH 5.5): -1.54
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.06
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.36
Polar Surface Area: 77 Å2
Polarizability: 51.5±0.5 10-24cm3
Surface Tension: 42.3±3.0 dyne/cm
Molar Volume: 415.6±3.0 cm3

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