ChemSpider 2D Image | (3S)-1-(3,4-Dichlorobenzyl)-3-pyrrolidinol | C11H13Cl2NO

(3S)-1-(3,4-Dichlorobenzyl)-3-pyrrolidinol

  • Molecular FormulaC11H13Cl2NO
  • Average mass246.133 Da
  • Monoisotopic mass245.037415 Da
  • ChemSpider ID27458294

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3S)-1-(3,4-Dichlorbenzyl)-3-pyrrolidinol [German] [ACD/IUPAC Name]
(3S)-1-(3,4-Dichlorobenzyl)-3-pyrrolidinol [ACD/IUPAC Name]
(3S)-1-(3,4-Dichlorobenzyl)-3-pyrrolidinol [French] [ACD/IUPAC Name]
(3S)-1-[(3,4-dichlorophenyl)methyl]pyrrolidin-3-ol
1289585-08-5 [RN]
3-Pyrrolidinol, 1-[(3,4-dichlorophenyl)methyl]-, (3S)- [ACD/Index Name]
(S)-1-(3,4-Dichlorobenzyl)pyrrolidin-3-ol
(S)-1-(3,4-Dichloro-benzyl)-pyrrolidin-3-ol
MFCD18837292

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 352.1±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 63.0±3.0 kJ/mol
    Flash Point: 166.7±27.9 °C
    Index of Refraction: 1.616
    Molar Refractivity: 62.6±0.3 cm3
    #H bond acceptors: 2
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 1.86
    ACD/LogD (pH 5.5): -0.20
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.35
    ACD/LogD (pH 7.4): 1.50
    ACD/BCF (pH 7.4): 5.29
    ACD/KOC (pH 7.4): 68.41
    Polar Surface Area: 23 Å2
    Polarizability: 24.8±0.5 10-24cm3
    Surface Tension: 56.2±3.0 dyne/cm
    Molar Volume: 179.0±3.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement