ChemSpider 2D Image | L-threo-ritalinic acid | C13H17NO2

L-threo-ritalinic acid

  • Molecular FormulaC13H17NO2
  • Average mass219.280 Da
  • Monoisotopic mass219.125931 Da
  • ChemSpider ID29788255

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S)-Phenyl[(2S)-2-piperidinyl]acetic acid [ACD/IUPAC Name]
(2S)-Phenyl[(2S)-2-piperidinyl]essigsäure [German] [ACD/IUPAC Name]
129389-68-0 [RN]
2-Piperidineacetic acid, α-phenyl-, (αS,2S)- [ACD/Index Name]
Acide (2S)-phényl[(2S)-2-pipéridinyl]acétique [French] [ACD/IUPAC Name]
L-threo-ritalinic acid
(2R)-2-phenyl-2-[(2R)-2-piperidinyl]acetic acid
(2R)-2-phenyl-2-[(2R)-2-piperidyl]acetic acid
(2R)-2-phenyl-2-[(2R)-piperidin-2-yl]acetic acid
(2R)-2-phenyl-2-[(2R)-piperidin-2-yl]ethanoic acid
More...

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 367.7±17.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 64.8±3.0 kJ/mol
    Flash Point: 176.2±20.9 °C
    Index of Refraction: 1.554
    Molar Refractivity: 61.8±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 2
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 2.08
    ACD/LogD (pH 5.5): -0.33
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.14
    ACD/LogD (pH 7.4): -0.33
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.14
    Polar Surface Area: 49 Å2
    Polarizability: 24.5±0.5 10-24cm3
    Surface Tension: 47.0±3.0 dyne/cm
    Molar Volume: 192.7±3.0 cm3

    Click to predict properties on the Chemicalize site


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