ChemSpider 2D Image | 4-[(2R)-3-{[2-(3,4-Dimethoxyphenyl)ethyl]amino}-2-hydroxypropoxy]-1,2-benzenediol | C19H25NO6

4-[(2R)-3-{[2-(3,4-Dimethoxyphenyl)ethyl]amino}-2-hydroxypropoxy]-1,2-benzenediol

  • Molecular FormulaC19H25NO6
  • Average mass363.405 Da
  • Monoisotopic mass363.168182 Da
  • ChemSpider ID57643495

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1,2-Benzenediol, 4-[(2R)-3-[[2-(3,4-dimethoxyphenyl)ethyl]amino]-2-hydroxypropoxy]- [ACD/Index Name]
4-[(2R)-3-{[2-(3,4-Dimethoxyphenyl)ethyl]amino}-2-hydroxypropoxy]-1,2-benzenediol [ACD/IUPAC Name]
4-[(2R)-3-{[2-(3,4-Diméthoxyphényl)éthyl]amino}-2-hydroxypropoxy]-1,2-benzènediol [French] [ACD/IUPAC Name]
4-[(2R)-3-{[2-(3,4-Dimethoxyphenyl)ethyl]amino}-2-hydroxypropoxy]-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: 600.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 94.0±3.0 kJ/mol
Flash Point: 316.8±31.5 °C
Index of Refraction: 1.588
Molar Refractivity: 98.2±0.3 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 1.67
ACD/LogD (pH 5.5): -1.22
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.11
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.98
Polar Surface Area: 100 Å2
Polarizability: 38.9±0.5 10-24cm3
Surface Tension: 51.3±3.0 dyne/cm
Molar Volume: 291.7±3.0 cm3

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