ChemSpider 2D Image | 4-[(1S)-2-{Bis[(~2~H_3_)methyl]amino}-1-(1-hydroxycyclohexyl)ethyl]phenol | C16H19D6NO2

4-[(1S)-2-{Bis[(2H3)methyl]amino}-1-(1-hydroxycyclohexyl)ethyl]phenol

  • Molecular FormulaC16H19D6NO2
  • Average mass269.412 Da
  • Monoisotopic mass269.226196 Da
  • ChemSpider ID62861564

  • defined stereocentres - 1 of 1 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

4-[(1S)-2-{Bis[(2H3)methyl]amino}-1-(1-hydroxycyclohexyl)ethyl]phenol [German] [ACD/IUPAC Name]
4-[(1S)-2-{Bis[(2H3)methyl]amino}-1-(1-hydroxycyclohexyl)ethyl]phenol [ACD/IUPAC Name]
4-[(1S)-2-{Bis[(2H3)méthyl]amino}-1-(1-hydroxycyclohexyl)éthyl]phénol [French] [ACD/IUPAC Name]
Phenol, 4-[(1S)-2-(dimethyl-d3-amino)-1-(1-hydroxycyclohexyl)ethyl]- [ACD/Index Name]
1062609-99-7 [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: 403.8±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 69.1±3.0 kJ/mol
Flash Point: 193.2±21.8 °C
Index of Refraction: 1.573
Molar Refractivity: 77.8±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.26
ACD/LogD (pH 5.5): -0.36
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.89
ACD/BCF (pH 7.4): 1.07
ACD/KOC (pH 7.4): 11.71
Polar Surface Area: 44 Å2
Polarizability: 30.9±0.5 10-24cm3
Surface Tension: 47.9±3.0 dyne/cm
Molar Volume: 236.1±3.0 cm3

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