ChemSpider 2D Image | 1-(1-Azocanyl)-3-[4-({[(3-isopropyl-1,2-oxazol-5-yl)methyl]amino}methyl)-2-methoxyphenoxy]-2-propanol | C25H39N3O4

1-(1-Azocanyl)-3-[4-({[(3-isopropyl-1,2-oxazol-5-yl)methyl]amino}methyl)-2-methoxyphenoxy]-2-propanol

  • Molecular FormulaC25H39N3O4
  • Average mass445.595 Da
  • Monoisotopic mass445.294067 Da
  • ChemSpider ID22185048

More details:

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

1-(1-Azocanyl)-3-[4-({[(3-isopropyl-1,2-oxazol-5-yl)methyl]amino}methyl)-2-methoxyphenoxy]-2-propanol [ACD/IUPAC Name]
1-(1-Azocanyl)-3-[4-({[(3-isopropyl-1,2-oxazol-5-yl)methyl]amino}methyl)-2-methoxyphenoxy]-2-propanol [German] [ACD/IUPAC Name]
1-(1-Azocanyl)-3-[4-({[(3-isopropyl-1,2-oxazol-5-yl)méthyl]amino}méthyl)-2-méthoxyphénoxy]-2-propanol [French] [ACD/IUPAC Name]
1(2H)-Azocineethanol, hexahydro-α-[[2-methoxy-4-[[[[3-(1-methylethyl)-5-isoxazolyl]methyl]amino]methyl]phenoxy]methyl]- [ACD/Index Name]
1-(1-azocanyl)-3-[4-({[(3-isopropyl-5-isoxazolyl)methyl]amino}methyl)-2-methoxyphenoxy]-2-propanol

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

Density: 1.1±0.1 g/cm3
Boiling Point: 608.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 95.0±3.0 kJ/mol
Flash Point: 321.7±31.5 °C
Index of Refraction: 1.536
Molar Refractivity: 126.4±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 4.44
ACD/LogD (pH 5.5): -0.05
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 2.37
ACD/BCF (pH 7.4): 16.62
ACD/KOC (pH 7.4): 100.27
Polar Surface Area: 80 Å2
Polarizability: 50.1±0.5 10-24cm3
Surface Tension: 43.6±3.0 dyne/cm
Molar Volume: 405.8±3.0 cm3

Click to predict properties on the Chemicalize site


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