ChemSpider 2D Image | (3S)-3-Amino-3-(4-chlorophenyl)-1-propanol | C9H12ClNO

(3S)-3-Amino-3-(4-chlorophenyl)-1-propanol

  • Molecular FormulaC9H12ClNO
  • Average mass185.651 Da
  • Monoisotopic mass185.060745 Da
  • ChemSpider ID21373845

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3S)-3-Amino-3-(4-chlorophenyl)-1-propanol [ACD/IUPAC Name]
(3S)-3-Amino-3-(4-chlorophényl)-1-propanol [French] [ACD/IUPAC Name]
(3S)-3-Amino-3-(4-chlorophenyl)propan-1-ol
(3S)-3-Amino-3-(4-chlorphenyl)-1-propanol [German] [ACD/IUPAC Name]
Benzenepropanol, γ-amino-4-chloro-, (γS)- [ACD/Index Name]
(R)-??-(4-Chlorophenyl)alaninol
(R)-ß-(4-Chlorophenyl)alaninol
(S)-3-(4-chlorophenyl)-??-alaninol
(S)-3-(4-Chlorophenyl)-b-alaninol
(S)-3-(4-chlorophenyl)-β-alaninol
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CCRIS 4693 [DBID]

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 327.9±27.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 60.2±3.0 kJ/mol
    Flash Point: 152.1±23.7 °C
    Index of Refraction: 1.574
    Molar Refractivity: 50.4±0.3 cm3
    #H bond acceptors: 2
    #H bond donors: 3
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 1.19
    ACD/LogD (pH 5.5): -1.99
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -0.44
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 3.65
    Polar Surface Area: 46 Å2
    Polarizability: 20.0±0.5 10-24cm3
    Surface Tension: 49.1±3.0 dyne/cm
    Molar Volume: 152.6±3.0 cm3

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