ChemSpider 2D Image | 3-[(1S)-1-{Bis[(~2~H_2_)methyl]amino}ethyl]phenol | C10H11D4NO

3-[(1S)-1-{Bis[(2H2)methyl]amino}ethyl]phenol

  • Molecular FormulaC10H11D4NO
  • Average mass169.257 Da
  • Monoisotopic mass169.140472 Da
  • ChemSpider ID58793421

  • defined stereocentres - 1 of 1 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

3-[(1S)-1-{Bis[(2H2)methyl]amino}ethyl]phenol [German] [ACD/IUPAC Name]
3-[(1S)-1-{Bis[(2H2)methyl]amino}ethyl]phenol [ACD/IUPAC Name]
3-[(1S)-1-{Bis[(2H2)méthyl]amino}éthyl]phénol [French] [ACD/IUPAC Name]
Phenol, 3-[(1S)-1-(dimethyl-d2-amino)ethyl]- [ACD/Index Name]
(S)-3-(1-DIMETHYLAMINOETHYL)PHENOL
139306-10-8 [RN]
2208616-87-7 [RN]
3-(1-Dimethylamino-ethyl)-phenol
3-[(1S)-1-(Dimethylaminoethyl)]phenol
MFCD06656491 [MDL number]
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.0±0.1 g/cm3
    Boiling Point: 241.3±15.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.5 mmHg at 25°C
    Enthalpy of Vaporization: 49.8±3.0 kJ/mol
    Flash Point: 97.2±19.0 °C
    Index of Refraction: 1.539
    Molar Refractivity: 50.7±0.3 cm3
    #H bond acceptors: 2
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 1.59
    ACD/LogD (pH 5.5): -1.07
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): 0.38
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 8.17
    Polar Surface Area: 23 Å2
    Polarizability: 20.1±0.5 10-24cm3
    Surface Tension: 38.5±3.0 dyne/cm
    Molar Volume: 161.7±3.0 cm3

    Click to predict properties on the Chemicalize site


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