ChemSpider 2D Image | [3-(3-Chlorobenzyl)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-3-piperidinyl]methanol | C21H24ClNO5S

[3-(3-Chlorobenzyl)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-3-piperidinyl]methanol

  • Molecular FormulaC21H24ClNO5S
  • Average mass437.937 Da
  • Monoisotopic mass437.106384 Da
  • ChemSpider ID22353417

More details:

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

[3-(3-Chlorbenzyl)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-3-piperidinyl]methanol [German] [ACD/IUPAC Name]
[3-(3-Chlorobenzyl)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-3-piperidinyl]methanol [ACD/IUPAC Name]
[3-(3-Chlorobenzyl)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-3-pipéridinyl]méthanol [French] [ACD/IUPAC Name]
3-Piperidinemethanol, 3-[(3-chlorophenyl)methyl]-1-[(2,3-dihydro-1,4-benzodioxin-6-yl)sulfonyl]- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 594.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.2±3.0 kJ/mol
Flash Point: 313.3±32.9 °C
Index of Refraction: 1.612
Molar Refractivity: 111.6±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.67
ACD/LogD (pH 5.5): 4.00
ACD/BCF (pH 5.5): 645.70
ACD/KOC (pH 5.5): 3572.90
ACD/LogD (pH 7.4): 4.00
ACD/BCF (pH 7.4): 645.70
ACD/KOC (pH 7.4): 3572.90
Polar Surface Area: 84 Å2
Polarizability: 44.2±0.5 10-24cm3
Surface Tension: 54.7±3.0 dyne/cm
Molar Volume: 320.9±3.0 cm3

Click to predict properties on the Chemicalize site


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