ChemSpider 2D Image | 1-[(2,3-Dimethoxybenzyl)(4-fluorobenzyl)amino]-5-hexen-2-ol | C22H28FNO3

1-[(2,3-Dimethoxybenzyl)(4-fluorobenzyl)amino]-5-hexen-2-ol

  • Molecular FormulaC22H28FNO3
  • Average mass373.461 Da
  • Monoisotopic mass373.205322 Da
  • ChemSpider ID22627342

More details:

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

1-[(2,3-Dimethoxybenzyl)(4-fluorbenzyl)amino]-5-hexen-2-ol [German] [ACD/IUPAC Name]
1-[(2,3-Dimethoxybenzyl)(4-fluorobenzyl)amino]-5-hexen-2-ol [ACD/IUPAC Name]
1-[(2,3-Diméthoxybenzyl)(4-fluorobenzyl)amino]-5-hexén-2-ol [French] [ACD/IUPAC Name]
5-Hexen-2-ol, 1-[[(2,3-dimethoxyphenyl)methyl][(4-fluorophenyl)methyl]amino]- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 489.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 79.7±3.0 kJ/mol
Flash Point: 250.1±28.7 °C
Index of Refraction: 1.549
Molar Refractivity: 106.4±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 5.14
ACD/LogD (pH 5.5): 2.67
ACD/BCF (pH 5.5): 32.29
ACD/KOC (pH 5.5): 188.72
ACD/LogD (pH 7.4): 3.81
ACD/BCF (pH 7.4): 444.89
ACD/KOC (pH 7.4): 2600.00
Polar Surface Area: 42 Å2
Polarizability: 42.2±0.5 10-24cm3
Surface Tension: 40.6±3.0 dyne/cm
Molar Volume: 334.4±3.0 cm3

Click to predict properties on the Chemicalize site


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