ChemSpider 2D Image | 4-(2-{[4-(4-Hydroxyphenyl)(1,1,1,2,3,3-~2~H_6_)-2-butanyl]amino}ethyl)-1,2-benzenediol | C18H17D6NO3

4-(2-{[4-(4-Hydroxyphenyl)(1,1,1,2,3,3-2H6)-2-butanyl]amino}ethyl)-1,2-benzenediol

  • Molecular FormulaC18H17D6NO3
  • Average mass307.417 Da
  • Monoisotopic mass307.205444 Da
  • ChemSpider ID78333900

  • Non-standard isotope - Non-standard isotope

More details:

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

1,2-Benzenediol, 4-[2-[[3-(4-hydroxyphenyl)-1-(methyl-d3)propyl-1,2,2-d3]amino]ethyl]- [ACD/Index Name]
4-(2-{[4-(4-Hydroxyphenyl)(1,1,1,2,3,3-2H6)-2-butanyl]amino}ethyl)-1,2-benzenediol [ACD/IUPAC Name]
4-(2-{[4-(4-Hydroxyphényl)(1,1,1,2,3,3-2H6)-2-butanyl]amino}éthyl)-1,2-benzènediol [French] [ACD/IUPAC Name]
4-(2-{[4-(4-Hydroxyphenyl)(1,1,1,2,3,3-2H6)-2-butanyl]amino}ethyl)-1,2-benzoldiol [German] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 527.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 83.3±3.0 kJ/mol
Flash Point: 169.8±20.7 °C
Index of Refraction: 1.611
Molar Refractivity: 88.0±0.3 cm3
#H bond acceptors: 4
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 1.94
ACD/LogD (pH 5.5): -0.87
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.33
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.08
Polar Surface Area: 73 Å2
Polarizability: 34.9±0.5 10-24cm3
Surface Tension: 53.5±3.0 dyne/cm
Molar Volume: 253.5±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement