ChemSpider 2D Image | N-[(3s,5s,7s)-Adamantan-1-yl]-2-chloroacetamide | C12H18ClNO

N-[(3s,5s,7s)-Adamantan-1-yl]-2-chloroacetamide

  • Molecular FormulaC12H18ClNO
  • Average mass227.730 Da
  • Monoisotopic mass227.107697 Da
  • ChemSpider ID129166754

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

Acetamide, 2-chloro-N-tricyclo[3.3.1.13,7]dec-1-yl- [ACD/Index Name]
N-[(3s,5s,7s)-Adamantan-1-yl]-2-chloracetamid [German] [ACD/IUPAC Name]
N-[(3s,5s,7s)-Adamantan-1-yl]-2-chloroacetamide [ACD/IUPAC Name]
N-[(3s,5s,7s)-Adamantan-1-yl]-2-chloroacétamide [French] [ACD/IUPAC Name]

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

Click to predict properties on the Chemicalize site


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