Found 3 results

Search term: ZFJGRVQFTNBLRP-YPMHNXCESA-N (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (2S,3S)-1-Benzyl-2-methyl-3-piperidinol | C13H19NO

(2S,3S)-1-Benzyl-2-methyl-3-piperidinol

  • Molecular FormulaC13H19NO
  • Average mass205.296 Da
  • Monoisotopic mass205.146667 Da
  • ChemSpider ID96845179

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S,3S)-1-Benzyl-2-methyl-3-piperidinol [German] [ACD/IUPAC Name]
(2S,3S)-1-Benzyl-2-methyl-3-piperidinol [ACD/IUPAC Name]
(2S,3S)-1-Benzyl-2-méthyl-3-pipéridinol [French] [ACD/IUPAC Name]
3-Piperidinol, 2-methyl-1-(phenylmethyl)-, (2S,3S)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 305.4±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 57.6±3.0 kJ/mol
Flash Point: 78.8±20.1 °C
Index of Refraction: 1.557
Molar Refractivity: 62.1±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.85
ACD/LogD (pH 5.5): -1.06
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.18
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.92
Polar Surface Area: 23 Å2
Polarizability: 24.6±0.5 10-24cm3
Surface Tension: 43.1±3.0 dyne/cm
Molar Volume: 192.8±3.0 cm3

Click to predict properties on the Chemicalize site


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