ChemSpider 2D Image | (1R,2S)-2-(Aminomethyl)-1-(3-methoxyphenyl)cyclohexanol | C14H21NO2

(1R,2S)-2-(Aminomethyl)-1-(3-methoxyphenyl)cyclohexanol

  • Molecular FormulaC14H21NO2
  • Average mass235.322 Da
  • Monoisotopic mass235.157227 Da
  • ChemSpider ID23976885

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1R,2S)-2-(Aminomethyl)-1-(3-methoxyphenyl)cyclohexanol [ACD/IUPAC Name]
(1R,2S)-2-(Aminomethyl)-1-(3-methoxyphenyl)cyclohexanol [German] [ACD/IUPAC Name]
(1R,2S)-2-(Aminométhyl)-1-(3-méthoxyphényl)cyclohexanol [French] [ACD/IUPAC Name]
Cyclohexanol, 2-(aminomethyl)-1-(3-methoxyphenyl)-, (1R,2S)- [ACD/Index Name]
(-)-N-Bisdesmethyltramadol
(1R,2S)-2-(Aminomethyl)-1-(3-methoxyphenyl)cyclohexan-1-ol
541505-94-6 [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: 393.9±22.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.9±3.0 kJ/mol
Flash Point: 192.0±22.3 °C
Index of Refraction: 1.551
Molar Refractivity: 68.5±0.3 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.78
ACD/LogD (pH 5.5): -1.48
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.98
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 55 Å2
Polarizability: 27.2±0.5 10-24cm3
Surface Tension: 44.5±3.0 dyne/cm
Molar Volume: 214.8±3.0 cm3

Click to predict properties on the Chemicalize site


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