ChemSpider 2D Image | 1-[3-(4-{[(2-Allyl-2-hydroxy-4-penten-1-yl)amino]methyl}-2-methoxyphenoxy)-2-hydroxypropyl]-4-piperidinol | C24H38N2O5

1-[3-(4-{[(2-Allyl-2-hydroxy-4-penten-1-yl)amino]methyl}-2-methoxyphenoxy)-2-hydroxypropyl]-4-piperidinol

  • Molecular FormulaC24H38N2O5
  • Average mass434.569 Da
  • Monoisotopic mass434.278076 Da
  • ChemSpider ID23062592

More details:

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

1-[3-(4-{[(2-Allyl-2-hydroxy-4-penten-1-yl)amino]methyl}-2-methoxyphenoxy)-2-hydroxypropyl]-4-piperidinol [ACD/IUPAC Name]
1-[3-(4-{[(2-Allyl-2-hydroxy-4-penten-1-yl)amino]methyl}-2-methoxyphenoxy)-2-hydroxypropyl]-4-piperidinol [German] [ACD/IUPAC Name]
1-[3-(4-{[(2-Allyl-2-hydroxy-4-pentén-1-yl)amino]méthyl}-2-méthoxyphénoxy)-2-hydroxypropyl]-4-pipéridinol [French] [ACD/IUPAC Name]
1-Piperidineethanol, 4-hydroxy-α-[[4-[[[2-hydroxy-2-(2-propen-1-yl)-4-penten-1-yl]amino]methyl]-2-methoxyphenoxy]methyl]- [ACD/Index Name]
1-{2-HYDROXY-3-[4-({[2-HYDROXY-2-(PROP-2-EN-1-YL)PENT-4-EN-1-YL]AMINO}METHYL)-2-METHOXYPHENOXY]PROPYL}PIPERIDIN-4-OL

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

Density: 1.1±0.1 g/cm3
Boiling Point: 610.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 95.4±3.0 kJ/mol
Flash Point: 323.2±31.5 °C
Index of Refraction: 1.555
Molar Refractivity: 123.1±0.3 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 0
ACD/LogP: 2.53
ACD/LogD (pH 5.5): -2.06
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.41
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 7.52
Polar Surface Area: 94 Å2
Polarizability: 48.8±0.5 10-24cm3
Surface Tension: 47.7±3.0 dyne/cm
Molar Volume: 383.8±3.0 cm3

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