ChemSpider 2D Image | MFCD06761904 | C9H12ClN

MFCD06761904

  • Molecular FormulaC9H12ClN
  • Average mass169.651 Da
  • Monoisotopic mass169.065826 Da
  • ChemSpider ID23078408

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(1S)-1-(3-Chlorophenyl)-1-propanamine [ACD/IUPAC Name]
(1S)-1-(3-Chlorophényl)-1-propanamine [French] [ACD/IUPAC Name]
(1S)-1-(3-chlorophenyl)propan-1-amine
(1S)-1-(3-Chlorphenyl)-1-propanamin [German] [ACD/IUPAC Name]
(1S)-1-(3-Chlorphenyl)propan-1-amin
(S)-1-(3-CHLOROPHENYL)PROPAN-1-AMINE
(S)-1-(3-Chloro-phenyl)-propylamine
1075715-57-9 [RN]
Benzenemethanamine, 3-chloro-α-ethyl-, (αS)- [ACD/Index Name]
MFCD06761904
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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: 235.0±15.0 °C at 760 mmHg
    Vapour Pressure: 0.1±0.5 mmHg at 25°C
    Enthalpy of Vaporization: 47.2±3.0 kJ/mol
    Flash Point: 108.9±8.4 °C
    Index of Refraction: 1.543
    Molar Refractivity: 48.9±0.3 cm3
    #H bond acceptors: 1
    #H bond donors: 2
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 2.56
    ACD/LogD (pH 5.5): -0.37
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): 0.97
    ACD/BCF (pH 7.4): 1.30
    ACD/KOC (pH 7.4): 14.46
    Polar Surface Area: 26 Å2
    Polarizability: 19.4±0.5 10-24cm3
    Surface Tension: 38.8±3.0 dyne/cm
    Molar Volume: 155.1±3.0 cm3

    Click to predict properties on the Chemicalize site


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