ChemSpider 2D Image | (3R,5S)-1-Benzyl-3,5-dimethyl-4-piperidinone | C14H19NO

(3R,5S)-1-Benzyl-3,5-dimethyl-4-piperidinone

  • Molecular FormulaC14H19NO
  • Average mass217.307 Da
  • Monoisotopic mass217.146667 Da
  • ChemSpider ID28289980
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(3R,5S)-1-Benzyl-3,5-dimethyl-4-piperidinon [German] [ACD/IUPAC Name]
(3R,5S)-1-Benzyl-3,5-dimethyl-4-piperidinone [ACD/IUPAC Name]
(3R,5S)-1-Benzyl-3,5-diméthyl-4-pipéridinone [French] [ACD/IUPAC Name]
4-Piperidinone, 3,5-dimethyl-1-(phenylmethyl)-, (3R,5S)- [ACD/Index Name]
(3R,5S)-1-benzyl-3,5-dimethylpiperidin-4-one
(3R,5S)-1-benzyl-3,5-dimethyl-piperidin-4-one
(3S,5R)-1-Benzyl-3,5-dimethylpiperidin-4-one
[324769-03-1]
324769-03-1 [RN]
'324769-03-1
More...

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

CCRIS 4693 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Appearance:

      Not Available Novochemy [NC-28214]
    • Safety:

      20/21/22 Novochemy [NC-28214]
      20/21/36/37/39 Novochemy [NC-28214]
      GHS07; GHS09 Novochemy [NC-28214]
      H304; H332 Novochemy [NC-28214]
      P309+P311; P211; P242 Novochemy [NC-28214]
      R22 Novochemy [NC-28214]
      Warning Novochemy [NC-28214]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.0±0.1 g/cm3
Boiling Point: 323.0±22.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 56.5±3.0 kJ/mol
Flash Point: 139.6±11.9 °C
Index of Refraction: 1.528
Molar Refractivity: 65.3±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.17
ACD/LogD (pH 5.5): 0.47
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.67
ACD/LogD (pH 7.4): 1.92
ACD/BCF (pH 7.4): 15.14
ACD/KOC (pH 7.4): 214.75
Polar Surface Area: 20 Å2
Polarizability: 25.9±0.5 10-24cm3
Surface Tension: 36.6±3.0 dyne/cm
Molar Volume: 212.3±3.0 cm3

Click to predict properties on the Chemicalize site






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