ChemSpider 2D Image | 3-[(1S,2S)-2-({Bis[(~2~H_3_)methyl]amino}methyl)-1-hydroxycyclohexyl]phenol | C15H17D6NO2

3-[(1S,2S)-2-({Bis[(2H3)methyl]amino}methyl)-1-hydroxycyclohexyl]phenol

  • Molecular FormulaC15H17D6NO2
  • Average mass255.386 Da
  • Monoisotopic mass255.210541 Da
  • ChemSpider ID58781606
  • defined stereocentres - 2 of 2 defined stereocentres

    Non-standard isotope - Non-standard isotope


More details:






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

3-[(1S,2S)-2-({Bis[(2H3)methyl]amino}methyl)-1-hydroxycyclohexyl]phenol [German] [ACD/IUPAC Name]
3-[(1S,2S)-2-({Bis[(2H3)methyl]amino}methyl)-1-hydroxycyclohexyl]phenol [ACD/IUPAC Name]
3-[(1S,2S)-2-({Bis[(2H3)méthyl]amino}méthyl)-1-hydroxycyclohexyl]phénol [French] [ACD/IUPAC Name]
Phenol, 3-[(1S,2S)-2-[(dimethyl-d3-amino)methyl]-1-hydroxycyclohexyl]- [ACD/Index Name]
1109218-03-2 [RN]
873928-73-5 [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: 403.3±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 69.0±3.0 kJ/mol
Flash Point: 201.2±21.8 °C
Index of Refraction: 1.561
Molar Refractivity: 73.2±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.86
ACD/LogD (pH 5.5): -0.95
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.07
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.10
Polar Surface Area: 44 Å2
Polarizability: 29.0±0.5 10-24cm3
Surface Tension: 46.4±3.0 dyne/cm
Molar Volume: 225.8±3.0 cm3

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