ChemSpider 2D Image | (3S)-3-Amino-3-(2,4-dichlorophenyl)-1-propanol | C9H11Cl2NO

(3S)-3-Amino-3-(2,4-dichlorophenyl)-1-propanol

  • Molecular FormulaC9H11Cl2NO
  • Average mass220.096 Da
  • Monoisotopic mass219.021774 Da
  • ChemSpider ID65334585

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3S)-3-Amino-3-(2,4-dichlorophenyl)-1-propanol [ACD/IUPAC Name]
(3S)-3-Amino-3-(2,4-dichlorophényl)-1-propanol [French] [ACD/IUPAC Name]
(3S)-3-Amino-3-(2,4-dichlorphenyl)-1-propanol [German] [ACD/IUPAC Name]
Benzenepropanol, γ-amino-2,4-dichloro-, (γS)- [ACD/Index Name]
(3S)-3-amino-3-(2,4-dichlorophenyl)propan-1-ol
1212967-55-9 [RN]
MFCD11023445

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 361.1±37.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 64.0±3.0 kJ/mol
    Flash Point: 172.2±26.5 °C
    Index of Refraction: 1.587
    Molar Refractivity: 55.3±0.3 cm3
    #H bond acceptors: 2
    #H bond donors: 3
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 1.79
    ACD/LogD (pH 5.5): -0.94
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): 0.77
    ACD/BCF (pH 7.4): 1.47
    ACD/KOC (pH 7.4): 27.43
    Polar Surface Area: 46 Å2
    Polarizability: 21.9±0.5 10-24cm3
    Surface Tension: 51.0±3.0 dyne/cm
    Molar Volume: 164.6±3.0 cm3

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