ChemSpider 2D Image | N-[(3R,5S)-Adamantan-1-yl]-2-chloroacetamide | C12H18ClNO

N-[(3R,5S)-Adamantan-1-yl]-2-chloroacetamide

  • Molecular FormulaC12H18ClNO
  • Average mass227.730 Da
  • Monoisotopic mass227.107697 Da
  • ChemSpider ID67864717

  • defined stereocentres - 2 of 4 defined stereocentres

More details:

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

Acetamide, 2-chloro-N-[(3R,5S)-tricyclo[3.3.1.13,7]dec-1-yl]- [ACD/Index Name]
N-[(3R,5S)-Adamantan-1-yl]-2-chloracetamid [German] [ACD/IUPAC Name]
N-[(3R,5S)-Adamantan-1-yl]-2-chloroacetamide [ACD/IUPAC Name]
N-[(3R,5S)-Adamantan-1-yl]-2-chloroacétamide [French] [ACD/IUPAC Name]
5689-59-8 [RN]
N-1-Adamantyl-2-chloroacetamide
N-Adamantan-1-yl-2-chloro-acetamide

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

MFCD01733430 [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: 385.3±21.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 63.4±3.0 kJ/mol
    Flash Point: 186.8±22.1 °C
    Index of Refraction: 1.548
    Molar Refractivity: 60.0±0.4 cm3
    #H bond acceptors: 2
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 2.07
    ACD/LogD (pH 5.5): 2.65
    ACD/BCF (pH 5.5): 60.55
    ACD/KOC (pH 5.5): 656.54
    ACD/LogD (pH 7.4): 2.65
    ACD/BCF (pH 7.4): 60.55
    ACD/KOC (pH 7.4): 656.54
    Polar Surface Area: 29 Å2
    Polarizability: 23.8±0.5 10-24cm3
    Surface Tension: 43.1±5.0 dyne/cm
    Molar Volume: 189.1±5.0 cm3

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