ChemSpider 2D Image | (1S,3S,6S)-Axomadol | C16H25NO3

(1S,3S,6S)-Axomadol

  • Molecular FormulaC16H25NO3
  • Average mass279.375 Da
  • Monoisotopic mass279.183441 Da
  • ChemSpider ID28530643

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(1S,3S,6S)-Axomadol
(1S,3S,6S)-6-[(Dimethylamino)methyl]-1-(3-methoxyphenyl)-1,3-cyclohexandiol [German] [ACD/IUPAC Name]
(1S,3S,6S)-6-[(Dimethylamino)methyl]-1-(3-methoxyphenyl)-1,3-cyclohexanediol [ACD/IUPAC Name]
(1S,3S,6S)-6-[(Diméthylamino)méthyl]-1-(3-méthoxyphényl)-1,3-cyclohexanediol [French] [ACD/IUPAC Name]
1,3-Cyclohexanediol, 6-[(dimethylamino)methyl]-1-(3-methoxyphenyl)-, (1S,3S,6S)- [ACD/Index Name]
187219-99-4 [RN]
Axomadol [USAN]
(1S,3S,6S)-6-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexane-1,3-diol
1,3-Cyclohexanediol, 6-((dimethylamino)methyl)-1-(3-methoxyphenyl)-, (1R,3R,6R)-rel-

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

Density: 1.1±0.1 g/cm3
Boiling Point: 431.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.5±3.0 kJ/mol
Flash Point: 214.9±28.7 °C
Index of Refraction: 1.554
Molar Refractivity: 79.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.00
ACD/LogD (pH 5.5): -1.73
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.65
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.35
Polar Surface Area: 53 Å2
Polarizability: 31.5±0.5 10-24cm3
Surface Tension: 43.5±3.0 dyne/cm
Molar Volume: 248.4±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement