ChemSpider 2D Image | (S)-5-Hydroxymethyl Tolterodine | C22H31NO2

(S)-5-Hydroxymethyl Tolterodine

  • Molecular FormulaC22H31NO2
  • Average mass341.487 Da
  • Monoisotopic mass341.235474 Da
  • ChemSpider ID29211988

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(S)-5-Hydroxymethyl Tolterodine
2-[(1S)-3-(Diisopropylamino)-1-phenylpropyl]-4-(hydroxymethyl)phenol [German] [ACD/IUPAC Name]
2-[(1S)-3-(Diisopropylamino)-1-phenylpropyl]-4-(hydroxymethyl)phenol [ACD/IUPAC Name]
2-[(1S)-3-(Diisopropylamino)-1-phénylpropyl]-4-(hydroxyméthyl)phénol [French] [ACD/IUPAC Name]
260389-90-0 [RN]
Benzenemethanol, 3-[(1S)-3-[bis(1-methylethyl)amino]-1-phenylpropyl]-4-hydroxy- [ACD/Index Name]
(S)-2-(3-(diisopropylamino)-1-phenylpropyl)-4-(hydroxymethyl)phenol
2-[(1S)-3-[BIS(PROPAN-2-YL)AMINO]-1-PHENYLPROPYL]-4-(HYDROXYMETHYL)PHENOL
2-[(1S)-3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-(hydroxymethyl)phenol
CS-13895
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.1±0.1 g/cm3
    Boiling Point: 490.7±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.3 mmHg at 25°C
    Enthalpy of Vaporization: 79.8±3.0 kJ/mol
    Flash Point: 233.2±27.4 °C
    Index of Refraction: 1.563
    Molar Refractivity: 104.6±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 2
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 0
    ACD/LogP: 4.12
    ACD/LogD (pH 5.5): 0.91
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 2.87
    ACD/LogD (pH 7.4): 1.16
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 5.17
    Polar Surface Area: 44 Å2
    Polarizability: 41.5±0.5 10-24cm3
    Surface Tension: 43.0±3.0 dyne/cm
    Molar Volume: 321.9±3.0 cm3

    Click to predict properties on the Chemicalize site


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