ChemSpider 2D Image | 5-(2-{[(6-Chloro-1,3-benzodioxol-5-yl)methyl]amino}ethyl)-1-(2-hydroxybutyl)-2-pyrrolidinone | C18H25ClN2O4

5-(2-{[(6-Chloro-1,3-benzodioxol-5-yl)methyl]amino}ethyl)-1-(2-hydroxybutyl)-2-pyrrolidinone

  • Molecular FormulaC18H25ClN2O4
  • Average mass368.855 Da
  • Monoisotopic mass368.150299 Da
  • ChemSpider ID22177859

More details:

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

2-Pyrrolidinone, 5-[2-[[(6-chloro-1,3-benzodioxol-5-yl)methyl]amino]ethyl]-1-(2-hydroxybutyl)- [ACD/Index Name]
5-(2-{[(6-Chlor-1,3-benzodioxol-5-yl)methyl]amino}ethyl)-1-(2-hydroxybutyl)-2-pyrrolidinon [German] [ACD/IUPAC Name]
5-(2-{[(6-Chloro-1,3-benzodioxol-5-yl)methyl]amino}ethyl)-1-(2-hydroxybutyl)-2-pyrrolidinone [ACD/IUPAC Name]
5-(2-{[(6-Chloro-1,3-benzodioxol-5-yl)méthyl]amino}éthyl)-1-(2-hydroxybutyl)-2-pyrrolidinone [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 540.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 86.2±3.0 kJ/mol
Flash Point: 280.9±30.1 °C
Index of Refraction: 1.568
Molar Refractivity: 95.3±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 2.00
ACD/LogD (pH 5.5): -0.96
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.52
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 10.58
Polar Surface Area: 71 Å2
Polarizability: 37.8±0.5 10-24cm3
Surface Tension: 49.3±3.0 dyne/cm
Molar Volume: 291.5±3.0 cm3

Click to predict properties on the Chemicalize site


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