ChemSpider 2D Image | 4-[2-({6-[(2-Phenylethyl)amino]hexyl}amino)ethyl]-1,2-(~2~H_3_)benzenediol | C22H29D3N2O2

4-[2-({6-[(2-Phenylethyl)amino]hexyl}amino)ethyl]-1,2-(2H3)benzenediol

  • Molecular FormulaC22H29D3N2O2
  • Average mass359.520 Da
  • Monoisotopic mass359.265198 Da
  • ChemSpider ID48061734

  • Non-standard isotope - Non-standard isotope

More details:

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

1,2-Benzene-3,4,6-d3-diol, 5-[2-[[6-[(2-phenylethyl)amino]hexyl]amino]ethyl]- [ACD/Index Name]
4-[2-({6-[(2-Phenylethyl)amino]hexyl}amino)ethyl]-1,2-(2H3)benzenediol [ACD/IUPAC Name]
4-[2-({6-[(2-Phényléthyl)amino]hexyl}amino)éthyl]-1,2-(2H3)benzènediol [French] [ACD/IUPAC Name]
4-[2-({6-[(2-Phenylethyl)amino]hexyl}amino)ethyl]-1,2-(2H3)benzoldiol [German] [ACD/IUPAC Name]
775542-05-7 [RN]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 546.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 85.7±3.0 kJ/mol
Flash Point: 115.1±20.7 °C
Index of Refraction: 1.571
Molar Refractivity: 108.3±0.3 cm3
#H bond acceptors: 4
#H bond donors: 4
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 0
ACD/LogP: 3.22
ACD/LogD (pH 5.5): -0.50
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.47
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 65 Å2
Polarizability: 42.9±0.5 10-24cm3
Surface Tension: 46.5±3.0 dyne/cm
Molar Volume: 329.5±3.0 cm3

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